demeclocycline

Tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an antibiotic, but being excreted more slowly, effective blood levels are maintained for longer. It is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.


A member of the class of tetracyclines; major species at pH 7.3.


Major species at pH 7.3


A member of the class of tetracyclines with formula C22H22N2O9 that is an intermediate in the biosynthesis of oxytetracycline by Streptomyces rimosus.


11a-hydroxychlortetracycline zwitterion

A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of 11a-hydroxychlortetracycline; major species at pH 7.3.


An organic anionic group formed by deprotonation of the phosphate and diphosphate groups of acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA serine residue.


ortho-positronium

The triplet state of positronium with electron and positron having parallel spins (S=1).


name: 5'-(N(2),N(7)-dimethyl 5'-triphosphoguanosine)-(purine ribonucleotide)(2-) residue

description: A 2,7-dimethyl guanosine (m(2,7)G) linked via an inverted 5'-5' triphosphate bridge to an initiating purine ribonucleotide


lysidine zwitterion

A zwitterion obtained by transfer of a proton from the carboxy group to the cytidine ring of lysidine. Nucleoside used in tRNA Ile2 at position 34. Ensures the tRNA only charges Ile and not Met.


amidinoproclavaminic acid zwitterion

Zwitterionic form of amidinoproclavaminic acid.


transverse flagellum

category: biolink:CellularComponent biolink:AnatomicalEntity biolink:PhysicalEssence biolink:OrganismalEntity biolink:SubjectOfInvestigation biolink:BiologicalEntity biolink:ThingWithTaxon biolink:NamedThing biolink:PhysicalEssenceOrOccurrent

description: A motile cilium found in dinoflagellates. It coils around the cell and provides the forward thrust for motility. It is often contained in a furrow called the cingulum, and emerges from a flagellar pore located in the cingulum.


name: 5'-end ribonucleoside 5'-diphosphate(3-) residue


5'-end diphospho-adenosine(3-) residue

An organic anionic group obtained by deprotonation of the diphosphate OH groups of a 5'-end diphospho-adenosine residue; major species at pH 7.3.


name: 5'-end purine ribonucleoside 5'-diphosphate(3-) residue

description: An organic anionic group obtained by deprotonation of the diphosphate OH groups of any 5'-end purine ribonucleoside 5'-diphosphate residue; major species at pH 7.3.


5'-end diphospho-guanosine(3-) residue

An organic anionic group obtained by deprotonation of the diphosphate OH groups of a 5'-end diphospho-guanosine residue; major species at pH 7.3.


name: 5'-end (5'-triphosphoguanosine)-(2'-O-methyl-purine ribonucleoside)(3-) residue

description: major species at pH 7.3


Zwitterionic form of 3-amino-3-(4-hydroxyphenyl)propanoic acid arising from migration of a proton fron the carboxy to the amino group; major species at pH 7.3.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 3-oxo-5-methylhexanoyl.


antibiotic fungicide

Any antibiotic antifungal agent that has been used as a fungicide.


An organic cation that is the conjugate acid of trypanothione, arising from deprotonation of the carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3.


decaketide

Decaketides are polyketide compounds that are synthesized from ten ketide units. They are derivatives of a 20-carbon skeleton.


organometalloidal compound

A compound having bonds between one or more metalloid atoms and one or more carbon atoms of an organyl group.


nickel-60 atom

A stable isotope of nickel with relative atomic mass 59.93079, 26.223 atom percent natural abundance and nuclear spin 0.


palladium

Chemical element (nickel group element atom) with atomic number 46.


nickel atom

Chemical element (nickel group element atom) with atomic number 28.


Ile-Gly zwitterion

A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ile-Gly. Major species at pH 7.3.


transition element molecular entity

A molecular entity containing one or more atoms of a transition element.


organomercury compound

A compound containing at least one carbon-mercury bond.


organozirconium compound

A compound containing at least one carbon-zirconium bond.


elemental niobium

An element in the vanadium group of the periodic table with atomic number 41, atomic mass 92.906, M.P. 2477 C, and B.P. 4744 C.


zinc oxide nanotube

A nanotube consisting of zinc oxide.


zinc oxide nanorod

A nanorod composed of zinc oxide.


d-block molecular entity

A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element.


mercury difulminate

An organomercury compound that is the bis(N-oxide) of mercury(II) cyanide. It is a highly shock- and friction-sensitive explosive.


zinc oxide nanoparticle

A nanoparticle consisting of zinc oxide.


A metal cation comprising samarium in the +3 oxidation state.


name: superparamagnetic iron oxide nanoparticle

description: An iron oxide nanoparticle consisting of a magnetic iron oxide core (usually magnetite, Fe3O4, or maghemite, gamma-Fe2O3). They may be coated with a biocompatible polymer or precipitated within the pores of a porous biocompatible polymer, which can be attached to cytotoxic drugs or antibodies. These can be targeted to the required area using external magnets; after the external magnetic field is removed, the particles no longer show magnetic interaction.


elemental lanthanum

An element in the scandium group of the periodic table with atomic number 57, atomic mass 138.91, M.P. 920 C, and B.P. 3464 C.


elemental chromium

An element in the chromium group of the periodic table with atomic number 24, atomic mass 51.996, M.P. 1907 C, and B.P. 2671 C.


f-block molecular entity

A molecular entity containing one or more atoms of an f-block element.


thorium molecular entity

An actinoid molecular entity containing at least one atome of thorium.


iron oxide nanoparticle

A nanoparticle consisting of an iron oxide.


elemental yttrium

An element in the scandium group of the periodic table with atomic number 39, atomic mass 88.906, M.P. 1526 C, and B.P. 2930 C.


elemental thorium

An element in the cerium group of the periodic table with atomic number 90, atomic mass 232.04, M.P. 1750 C, and B.P. 4788 C.


chromium ion

An chromium atom having a net electric charge.


tungsten nanoparticle

A nanoparticle consisting of tungsten atoms.


O-phospho-L-threonine residue

An alpha-amino-acid residue derived from O-phospho-L-threonine.


3-nitrocinnamoyl group

The univalent carboacyl group formed by loss of -OH from the carboxy group of 3-nitrocinnamic acid.


clathrin-coated endocytic vesicle lumen

description: The volume enclosed by the membrane of a clathrin-coated endocytic vesicle.


early phagosome lumen

description: The volume enclosed by the membrane of an early phagosome.


gamma-carboxy-L-glutamic acid residue

An alpha-amino-acid residue derived from gamma-carboxy-L-glutamic acid.


graphene oxide

A single carbon layer of the graphite oxide structure.


name: 5'-end (N(7)-methyl 5'-triphospho-guanosine)-(2'-O-methyl-guanosine)(2-) residue

description: A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an initiating 2'-O-methyl-guanosine-ribonucleotide; major species at pH 7.3.


A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an initiating 2'-O-methyl-purine-ribonucleotide


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (11Z)-3-oxohexadecenoyl.


fusicocccadiene

A diterpene.


tin-115 atom

The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2.


S-palmitoyl-L-cysteine residue

An alpha-amino-acid residue derived from S-palmitoyl-L-cysteine.


1-sn-phosphatidyl-L-serine zwitterion

The zwitterion resulting from the transfer of a proton from the carboxylic acid group to the amino group of a 1-sn-phosphatidyl-L-serine.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 44 carbons and 0 double bonds.


Major microspecies at pH 7.3.


amidyl group

The substituent group formed by loss of a proton from azanide.


isoaspartate

Formed following deamidation of asparagine or dehydration of aspartic acid via a metastable succinimide (cyclic imide) intermediate, which hydrolyzes to a mixture of aspartyl and isoaspartyl linkages.


An anionic amino-acid residue formed by proton loss from the phospho group of an O-(S-acylpantetheine-4'-phosphoryl)serine residue, the principal form present at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (5Z)-dodecenoyl; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (19Z,31Z)-pentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as acetoacetyl.


An O-(S-acylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as methoxycarbonylacetyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,19Z)-3-hydroxyoctatriacontenoyl.


name: O-[S-(dihydromonacolin L carboxy)pantetheine-4'-phosphoryl]-L-serine(1-) residue

description: An O-(S-3-oxoacylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as dihydromonacolin L carboxy.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,15Z)-3-hydroxytetratriacontenoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (5Z,17Z)-3-oxohexatriacontadienoyl.


name: O-(S-[2R,4R,6R,8R]-2,4,6,8-tetramethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue

description: An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue obatined by deprotonation of the phosphate group of any O-(S-[2R,4R,6R,8R]-2,4,6,8-tetramethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine residue; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (9Z,21Z)-tetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (7Z,19Z)-octatriacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as pyrrole-2-carbonyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,21Z,37Z)-3-hydroxyhexapentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 4-(gamma-L-glutamylamino)butanoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (7Z)-3-oxohexacosenoyl.


name: O-[S-(medium-chain fatty acyl)pantetheine-4'-phosphoryl]serine(1-) residue

description: An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is derived from a medium-chain fatty acid.


name: O-(S-[2S,4S,6S]-2,4,6-trimethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue

description: An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue obtained by deprotonation of the phosphate group of any O-(S-[2S,4S,6S]-2,4,6-trimethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine residue


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is a 3-methylbut-2-enoyl group; major microspecies at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (5Z)-tetracosenoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,9Z,21Z)-3-hydroxytetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3Z)-decenoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,13Z)-3-hydroxydotriacontenoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,7Z,23Z)-3-hydroxydotetracontadienoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (17Z,33Z)-3-oxodopentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as acetyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (9Z)-octacosenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as isoheptanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is a 3-carboxymethyl-3-hydroxyacyl group; major microspecies at pH 7.3.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,7Z)-3-hydroxyhexacosenoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (9Z)-3-oxooctacosenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as hexadecanoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (13Z,25Z)-3-oxotetratetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine residue(1-) in which the S-acyl group is specified as 2-dodecenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as gamma-L-glutamyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 4-hydroxybenzoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxytetradecanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as malonyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxyoctadecanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 7-oxoheptanoyl. Major species at pH 7.3


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (17Z)-hexatriacontenoyl.


name: ultra-long-chain di-unsaturated fatty acyl-pantetheine-4'-phosphoryl-L-serine(1-) residue

description: An O-(S-acylpantetheine-4-phosphoryl)serine residue in which the S-acyl group is a di-unsaturated very long-chain fatty acid anion with a chain length greater than C27.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3Z,15Z)-tetratriacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (15Z,27Z)-hexatetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (4Z)-hexadecenoyl.


An anionic amino-acid residue consisting of an O-(S-acylpantetheine-4'-phosphoryl)-L-serine residue in which the S-acyl group is specified as (3S)-hydroxy-3-methylglutaryl.


Major species at pH 7.3


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 5-bromopyrrole-2-carbonyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (15Z,27Z)-3-oxohexatetracontadienoyl.


name: ultra-long-chain mono-unsaturated 3-oxoacyl-pantetheine-4'-phosphoryl-L-serine(1-) residue

description: An O-(S-acylpantetheine-4-phosphoryl)serine residue in which the S-acyl group is a mono-unsaturated very long-chain 3-oxo-fatty acid anion with a chain length greater than C27.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 5-chloropyrrole-2-carbonyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is a (5R,7R,8R)-5,7,8-trihydroxy-S-3-oxononanoyl group; major microspecies at pH 7.3


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (13Z)-3-oxodotriacontenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (13Z)-dotriacontenoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (21Z,37Z)-3-oxohexapentacontadienoyl.


name: (7R,8R)-7,8-dihydroxy-C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue

description: An O-(S-[long-chain acyl]pantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is an (7R,8R)-7,8-dihydroxy-C2-C8-saturated long-chain fatty acyl; major species at pH 7.3.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (5Z,21Z)-3-oxotetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxyhexadecanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as octadecanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxy-4-methylpentanoyl.


An anionic amino-acid residue formed by loss of a proton from the phospho group of dodecanoyl-pantetheine-4-phosphorylserine residue.


An O-(S-acylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxy-(9Z)-hexadecenoyl; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (6Z)-hexadecenoyl.


Major microspecies at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3-oxodecanoyl.


name: ultra-long-chain di-unsaturated 3-oxoacyl-pantetheine-4'-phosphoryl-L-serine(1-) residue

description: An O-(S-3-oxoacylpantetheine-4-phosphoryl)serine residue in which the S-acyl group is a di-unsaturated very long-chain fatty acid anion with a chain length greater than C27.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3-oxohexadecanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (5Z,21Z-tetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3,4,5-tribromopyrrole-2-carbonyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3,5-dihydroxy-4-methylanthraniloyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3Z)-docosenoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 3-oxodocosanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 18-carbamoyl-3,5,7,9,11,13,15,17-octaoxooctadecanoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,17Z,29Z)-3-hydroxyoctatetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (7Z)-hexacosenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (23Z,39Z)-octapentacontadienoyl.


An anionic amino-acid residue formed by loss of a proton from the phospho group of (3R)-3-hydroxypalmitoyl-pantetheine-4-phosphorylserine residue.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (11Z,23Z)-3-oxodotetracontadienoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (15Z)-3-oxotetratriacontenoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (9Z,25Z)-3-oxotetratetracontadienoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (19Z,35Z)-3-oxotetrapentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as S-2-methylbutanoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,19Z,35Z)-3-hydroxytetrapentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxydodecanoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (11Z,27Z)-3-oxohexatetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is a 4-carboxy-3-alkylbut-(2E)-enoyl group; major microspecies at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3-oxooctanoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 3-oxopentanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (11Z)-triacontenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxy-5-methylhexanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 17-(4-hydroxyphenyl)heptadecanoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (23Z,39Z)-3-oxooctapentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as decanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (13Z,25Z)-tetratetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (11Z,27Z)-hexatetracontadienoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,19Z,31Z)-3-hydroxypentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 5-hexynoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (9Z)-tetradecenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (21Z,37Z-hexapentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as L-2-amino-6-adipoyl


Meromycolic acids are one of the two precursor of the mycolic acids produced by Mycobacteria. They consist of a long chain typically of 50-60 carbons, which is functionalized by different groups.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 3-oxo-4-methylhexanoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,7Z,19Z)-3-hydroxyoctatriacontadienoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,5Z,21Z)-3-hydroxytetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3-oxooctadecanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxypentanoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,9Z)-3-hydroxyoctacosenoyl.


name: C2-C8-saturated long-chain fatty acyl pantetheine-4-phosphorylserine(1-) residue

description: An O-(S-[long-chain acyl]pantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is an C2-C8-saturated long-chain fatty acyl; major species at pH 7.3.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,15Z,31Z)-3-hydroxypentacontadienoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 3-oxoheptanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as icosanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is a 4-carboxy-3-methylbut-(2E)-enoyl group; major microspecies at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (9Z)-hexadecenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 6-methoxycarbonylhexanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxyoctanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (15Z,31Z)-pentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3-hydroxy-4-methylanthraniloyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as butanoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,11Z,27Z)-3-hydroxyhexatetracontadienoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxydocosanoyl.


name: O-{S-[(9Z)-3-oxohexadecenoylpantetheine]-4'-phosphoryl}-L-serine(1-)    residue

description: An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (9Z)-3-oxohexadecenoyl; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (7Z,23Z)-dotetracontadienoyl.


The x-ref to MetaCyc (4-Cl-L-Threonyl-PCP) in CHEBI:141018 is wrong


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as octanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (17Z,33Z)-dopentacontadienoyl.


An anionic amino-acid residue formed by proton loss from the phospho group of O-(S-2-hydroxybenzoylpantetheine-4'-phosphoryl)-L-serine residue; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (9Z,25Z)-tetratetracontadienoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,11Z)-3-hydroxytriacontenoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,15Z,27Z)-3-hydroxyhexatetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group resulting from the deprotonation of the phosphate group of O-[S-(3,5,7,9,11,13-hexaoxotetradecanoyl)pantetheine-4'-phosphoryl]serine residue; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxyheptanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (15Z)-tetratriacontenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxyhexanoyl.


name: O-[S-(virensol B carboxy)pantetheine-4'-phosphoryl]-L-serine(1-) residue


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,13Z,25Z)-3-hydroxytetratetracontadienoyl.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,17Z)-3-hydroxyhexatriacontenoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (13Z)-3-oxooctadecenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (2E)-tetradecenoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (7Z,23Z)-3-oxodotetracontadienoyl.


name: O-[S-(long-chain fatty acyl)pantetheine-4'-phosphoryl]serine(1-) residue

description: An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is derived from a long-chain fatty acid.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group can be any 2,3-saturated acyl group.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3,4,5-trichloropyrrole-2-carbonyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (7Z,19Z)-3-oxooctatriacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as oleoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as dichloroacetyl; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3Z,19Z)-octatriacontadienoyl.


An anionic amino-acid residue formed by proton loss from the phospho group of an O-(S-2-alkyl-3-oxoacyl-pantetheine-4'-phosphoryl)-L-serine residue; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 19-(4-hydroxyphenyl)nonadecanoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (5Z)-3-oxotetracosenoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (11Z,23Z)-dotetracontadienoyl.


An O-(S-acylpantetheine-4-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (3R)-hydroxyicosanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (17Z,29Z)-octatetracontadienoyl.


An O-(S-2-alkyl-3-oxoacyl-pantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-2-alkyl-3-oxoacyl-group is specified as 2-tetradecyl-3-oxooctadecanoyl.


name: O-{S-[(5Z)-3-oxododecenoylpantetheine]-4'-phosphoryl}-L-serine(1-)    residue

description: An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (5Z)-3-oxododecenoyl; major species at pH 7.3.


An O-(S-acylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as S-2,3-dihydroxybenzoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is a 3-alkylbut-2-enoyl group; major microspecies at pH 7.3.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as (17Z,29Z)-3-oxooctatetracontadienoyl.


name: ultra-long-chain mono-unsaturated fatty acyl-pantetheine-4'-phosphoryl-L-serine (1-) residue

description: An O-(S-acylpantetheine-4-phosphoryl)serine residue in which the S-acyl group is a mono-unsaturated very long-chain fatty acid anion with a chain length greater than C27.


An O-[S-(3R)-3-hydroxyacylpantetheine-4'-phosphoryl]serine(1-) residue in which the S-acyl group is specified as (3R,23Z,39Z)-3-hydroxyoctapentacontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3-oxohexanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (5Z,17Z)-hexatriacontadienoyl.


An O-(S-3-oxoacylpantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-acyl group is specified as 3-oxo-4-methylpentanoyl.


An O-(S-2-alkyl-3-oxoacyl-pantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-2-alkyl-3-oxoacyl-group is specified as 2-tetradecyl-3-oxohexadecanoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (13Z,29Z)-octatetracontadienoyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue obtained by deprotonation of the phosphate OH group of any O-(S-fatty acylpantetheine-4'-phosphoryl)-L-serine residue.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (R)-2-hydroxybutanoyl.


DERIVATIVE 2


The name is a guess. Major species at pH 7.3


name: paneth cell of epithelium of crypt of Lieberkuhn of small intestine

category: biolink:Cell biolink:AnatomicalEntity biolink:PhysicalEssence biolink:OrganismalEntity biolink:SubjectOfInvestigation biolink:BiologicalEntity biolink:ThingWithTaxon biolink:NamedThing biolink:PhysicalEssenceOrOccurrent

description: A paneth cell that is part of the epithelium of crypt of Lieberkuhn of small intestine.


name: paneth cell of epithelium of small intestine

description: A paneth cell that is part of the epithelium of small intestine.


Ile-Leu zwitterion

A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ile-Leu.


A fatty-acyl group derived from (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid.


Conjugate base of bhas#9-CoA


biogenic silica

A biogenic mineral comprised of hydrated silica.


biogenic substance

Any chemical substance produced by life processes.


biogenic mineral

Any biogenic substance that has undergone transformation through the action of geological processes. Thus the term does not include compounds produced entirely by biological processes, such as shells of marine molluscs, oxalate crystals in plant tissues, etc., but does include the constituents of limestones and phosphorites derived from marine organisms.


Zwitterionic form of N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


This is the major tautomer at pH 7.3 of compound 13 of pmid:27690412


left ventral basal body

description: Any ciliary basal body that is part of a left ventral flagellum found in Giardia species (trophozoite stage).


molybdenum-98 atom

A stable isotope of molybdenum with relative atomic mass 97.90541, 24.29 atom percent natural abundance and nuclear spin 0.


organic molecular entity

Any molecular entity that contains carbon.


CoA ester of bkos#30


quinomethanes

Methylidenecyclohexadienones and dimethylidenecyclohexadienes, formally derived from quinones by replacement of one or both of the quinone oxygens by methylidene groups.


L-selenohomocysteine zwitterion

An L-alpha-amino acid zwitterion obtained from L-selenohomocysteine by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.


Zwitterionic form of N(4)-acetyl-L-2,4-diaminobutyric acid having an anionic carboxy group and a protonated nitrogen.


phthiocerol derivatives

A lipid derived from phthiocerol.


Conjugate base of bhos#12-CoA


An FGFR2-IIIb isoform-specific monoclonal antibody used in cancer patients with aberrantly activated/amplified FGFR2 signaling


organophosphorus herbicide

An herbicide which contains a chemically reactive phosphate ester side chain.


Conjugate base of ascr#15


Puromycin monoprotonated at the amino nitrogen. It is the predominant species at pH 7.3.


Major species at pH 7.3


monobenzone

The monobenzyl ether of hydroquinone.  It is used as a topical drug for medical depigmentation.


strobilurin antifungal agent

Any antibiotic antifungal agents whose structure is based on the antifungal agents originally isolated from the fungus Strobilurus tenacellus.


3,3',5'-triiodo-L-thyronine zwitterion

Zwitterionic form of 3,3',5'-triiodo-L-thyronine.


pentamethoxyflavone

A methoxyflavone that is flavone substituted by a five methoxy groups.


Berthelotic acid

An unsaturated fatty acid found in vernix caseosa.


An organic cation obtained by abstraction of a hydride from position 4 of 7,2'-dihydroxy-4'-methoxyisoflavan. A reactive intermediate in the biosynthesis of medicarpin.


6-Benzyl-4-isopropyl-1-hydroxypyridin-2(1H)-one


Zwitterionic form of 3-hydroxy-4-methyl-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3


(S)-(+)-cembrene A

A diterpene.


organotitanium compound

A compound containing at least one carbon-titanium bond.


HA Binder_BHP3

310 helical peptide with hyaluronic acid binding domains


name: 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion

description: Zwitterionic form 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate having an anionic phosphate group and a protonated nitrogen.


A phosphatidylethanolamine with an alkyl chain of unspecified length at sn-1 and unspecified acyl chains at sn-2 and N-positions.


S. pneumoniae serotype 18C CPS

Streptococcus pneumoniae serotype 18C capsular polysaccharide


aptamer

An oligonucleotide or peptide engineered to bind to a specific target molecule.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 32 carbons and 4 double bonds.


Conjugate base of bkas#34-CoA


ofatumumab

An ether in which the oxygen atom is connected to two methyl groups.


Conjugate base of ascr#11


Cys-Phe thioether

a thioether linkage between a cys and phe residue.


A tetrahydrofolyl glutamate consisting of a 10-formyltetrahydrofolyl group linked via an amide bond to a gamma-glutamyl chain of 5 residues.


Ala-Thr zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Thr.


An organic cation that is the conjugate acid of procarbazine.


name: Tuberoinfundibular peptide of 39 residues


M3 acceptor complex

N-acetylgalactosamine-beta-3-N-acetylglucosamine-beta-4-(phosphate-6-)mannose


Pro-Hyp zwitterion

A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Pro-Hyp. Major species at pH 7.3.


An organic cation resulting from the protonation of both of the nitrogens of 1,2-dimethylhydrazine.


L-Cys-Gly disulfide dizwitterion

Major species at pH 7.3


An oxidized phosphatidylethanolamine 38:4 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-octadecanoyl-2-(15-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine.


An S-conjugate L-cysteine zwitterion substituted by a (1-hydroxy-3-methylhexan-3-yl) group; major species at pH 7.3.


Conjugate base of bkas#9-CoA


D-4-hydroxyphenylglycine zwitterion

A D-alpha-amino acid zwitterion that is D-4-hydroxyphenylglycine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.


Aromatic heteropolycyclic compound present in Geodia barretti


S-inosyl-L-homocysteine zwitterion

Zwitterionic form of S-inosyl-L-homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


Conjugate base of bhas#22


one-carbon compound

An organic molecular entity containing a single carbon atom (C1).


organolead compound

A compound containing at least one carbon-lead bond.


name: N-[[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]carbamic acid methyl ester


Fertilitatic acid

An unsaturated fatty acid found in vernix caseosa.


ether

An organooxygen compound with formula ROR, where R is not hydrogen.


organocobalt compound

A compound containing at least one carbon-cobalt bond.


(R)-ethyl 1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylate


Polymeric sulfated hyaluronan, degree of sulfation 1.2


cyclohexyl isocyanide(1+)

An organic cation that is the conjugate acid of cyclohexyl isocyanide, arising from protonation of the negatively charged methylidyne carbon; major species at pH 7.3.


The closest compound in MetaCyc is Open-tautomer-2-hydroxyflavanones, but this compound includes two additional OH groups


O-acetyl-L-homoserine zwitterion

Zwitterionic form of O-acetyl-L-homoserine having an anionic carboxy group and a protonated alpha-amino group; major species at pH 7.3.


HA Binder_1-scrm

310 helical peptide without hyaluronic acid binding domain -  negative control


dopamine 3-O-sulfate zwitterion

A zwitterion obtained by transfer of a proton from the sulfonyl to the amino group of dopamine 3-O-sulfate; major species at pH 7.3.


Conjugate base of bhas#16


An organic cation that is the conjugate acid of pipacycline.


poly[(GA)]

A single-stranded RNA polynucleotide consisting of a repeating unit of deoxyguanosine and 5-methyldeoxyadenosine residues, with all residues connected by 3'-5' phosphodiester linkages.


A zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of N-[(2S)-2-aminobutanoyl]glycine. The major species at pH 7.3.


Zwitterionic form of (R)-piperazine-2-carboxylic acid having an anionic carboxy group and a protonated 1-amino group.


dapdiamide E zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.


A pyridinium ion obtained by protonation of the nitrogen of 2-(chloromethyl)pyridine.


glutaurine zwitterion

A dipeptide zwitterion that is glutaurine in which a proton has been transferred from the carboxy group to the alpha-amino group.


dDG monophosphate

2'-deoxy-7-deazaguanosine 5'-monophosphate


organic molecule

Any molecule that consists of at least one carbon atom as part of the electrically neutral entity.


An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-amino-2-deoxy-D-gluconic acid; major species at pH 7.3.


Zwitterionic form of (S)-piperazine-2-carboxylic acid having an anionic carboxy group and a protonated 1-amino group.


A peptide cation that is the conjugate acid of L-Leu-L-Met-NH2, arising from the protonation of the N-terminal amino group. Major species at pH 7.3.


A (2-amino-1-hydroxyethyl)phosphonate zwitterion that has (R)-configuration; major microspecies at pH 7.3.


An organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carboxy and dimethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'gallocyanin'.


CoA ester of bhas#28


Ala-Leu-Ala zwitterion

A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Ala-Leu-Ala. Major microspecies at pH 7.3.


proclavaminic acid zwitterion

Zwitterionic form of proclavaminic acid.


An organic cation that is the conjugate acid of serpentine. It is the major species at pH 7.3.


Conjugate base of bhos#30-CoA


Conjugate base of bkas#32


D-alanyl-D-serine zwitterion

Zwitterionic form of D-alanyl-D-serine arising from migration of a proton from the OH of the carboxy terminus to the amino terminus.


Conjugate base of bkos#36


3-Hydroxykynurenine glucoside

Primary molecular ultraviolet filter of the human eye lens


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate.


metabolite


serine zwitterion

An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of serine.


Conjugate base of bkos#1-CoA


L-canaline zwitterion

An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-canaline; major species at pH 7.3.


CoA ester of bkas#14


streptidine 6-phosphate zwitterion

Zwitterionic form of streptidine 6-phosphate having an anionic phosphate group and protonated guanidino groups; major species at pH 7.3


Conjugate base of ascr#25-CoA


O-carbamoyl-L-serine zwitterion

Zwitterionic form of O-carbamoyl-L-serine having an anionic carboxy group and a protonated amino group.


pyrvinium

A quinolinium ion that is 1-methylquinolinium substituted by dimethylamino group at position 6 and a (E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl at position 2. It is a  anthelminthic drug active against pinworms. The salts of pyrvinium can also be used as anticancer agents.


chrysodiene

A diterpene.


taurocyamine zwitterion

Zwitterionic form of taurocyamine arising from transfer of a proton from the sulfo to the guanidino group; major species at pH 7.3.


NAPROXOL

An aromatic ether in which the substituents on oxygen are 6-[(2S)-1-hydroxypropan-2-yl]-2-naphthyl and methyl.


An acridinium ion resulting from the protonation of the ring nitrogen of 9-aminoacridine. The major species at pH 7.3.


name: ZN(II) Phthalocyanine tetrasulfonic acid


name: N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester


spirit blue(1+)

An organic cation obtained by protonation of spirit blue base.


Verniceic acid

An unsaturated fatty acid found in vernix caseosa.


BMS641 (BMS-209641) is a selective RARbeta agonist.


Ala-Leu zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 36 carbons and 6 double bonds.


(R)-3-aminoisobutyric acid zwitterion

Zwitterionic form of (R)-3-aminoisobutyric acid having an anionic carboxy group and a protonated amino group; major species at pH 7.3.


CoA ester of bhas#20


alpha-linolenoyl bioconjugate

A bioconjugate obtained by coupling of alpha-linolenic acid to another biomolecule (e.g. coenzyme A, an acyl-carrier protein, a phospholipid, an oligosaccharide, a nucleic acid etc.), which for the sake of convenience, is represented by an R group.


CoA ester of bhas#12


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 32 carbons and 2 double bonds.


L-glutamic 5-semialdehyde zwitterion

Zwitterionic form of homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


A 2-amino-Delta(2)-thiazoline-4-carboxylic acid zwitterion that has S-configuration. The major species at pH 7.3.


name: cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester


rosinidin

An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 5, a methoxy group at position 7 and a 4-hydroxy-3-methoxyphenyl group at position 2.


A polyether that consists of undecane in which the carbon atoms at positions 3, 6 and 9 are replaced by oxygen atoms.


11a-hydroxytetracycline zwitterion

A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of 11a-hydroxytetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 40 carbons and 6 double bonds.


Derivative 3


dialkylzinc compound

An organozinc compound where the zinc atom is bound to two alkyl groups.


A dizwitterionic form of 2-(3-amino-3-carboxypropyl)-L-histidine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.


N-methyl-L-methionine zwitterion

Zwitterionic form of N-methyl-L-methionine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


CoA ester of bhos#18


A zwitterion that is derived from 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate by deprotonation of the phosphate OH groups and protonation of the amino and guanidino groups.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 30 carbons and 3 double bonds.


A diterpene.


diether

A polyether in which the number of ether linkages is 2.


ARV-825 is a PROTAC connected by ligands for Cereblon and BRD4. ARV-825 binds to BD1 and BD2 of BRD4.


A glycosyl-phosphatidylinositol derivative where R1 can be an alkyl or an acyl group, R2 and R3 are both acyl groups of undefined composition.


CoA ester of bkos#20


Also see doi:10.1021/ja982285+


name: 2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester


CoA ester of bkos#28


Conjugate base of ascr#5


3-nitrotyramine zwitterion

A zwitterion obtained by transfer of a proton from the phenol to the amino group of 3-nitrotyramine; major species at pH 7.3


Conjugate base of bhos#38-CoA


A hexosyl ceramide with C17iso branched chain sphingoid base and C21:0(OH) N-Acyl. Sum formula is C44H85NO9


oxacalixarene

A macrocycle composed of 1,3-phenylene groups bridged by oxygen atoms.


organoselenate

A compound of the general formula M-SeR where R is an organyl group.


cis-3-hydroxy-L-proline zwitterion

The zwitterion formed from cis-3-hydroxy-L-proline by proton transfer from the carboxy group to the ring nitrogen. It is the predominant species at physiological pH.


The chloramide form of CHEBI:55478


name: [Myeline basic protein] N-methyl-L-arginine


guanosine-5'-triphosphate(3-) group

An organic anionic group obtained by deprotonation of the three free phosphate OH groups of guanosine 5'-triphosphate group.


AGI-5198 (IDH-C35) is a potent and selective mutant IDH1 R132H inhibitor


Major species at pH 7.3.


4-O-(beta-L-Araf)-cis-L-Hyp zwitterion

An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-O-(beta-L-Araf)-cis-L-Hyp.


A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of [Hyp(3)]-bradykinin; major species at pH 7.3.


monomethoxyflavone

Any methoxyflavone with a single methoxy substituent.


Acylceramides

Category: Sphingolipids - Main Class: Ceramides - Subclass: Acylceramides - Abbreviation: ACer


The deoxy form of the rare sugar L-fructose.


The 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP substituted on C-8 by a 6-aminohexylamino group and methyl-substituted at O-2 of the ribose moiety.


An organic cation obtained by protonation of the imidazole group of (R)-isoconazole.


graphite oxide

compound obtained by treating graphite with strong oxidizers.


Conjugate base of bhos#20-CoA


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-(gamma-L-glutamyl)-L-alaninol; major species at pH 7.3.


4-guanidinobutanoic acid zwitterion

Zwitterionic form of 4-guanidinobutanoic acid.


is_a_ CHEBI:64517 in which 1 and 2-acyl groups are specified as hexadecanoyl and 10-hydroperoxy 8E-octadecenoyl respectively.


Conjugate base of bkas#22


pentaketide

Pentaketides are polyketide compounds that are synthesized from five ketide units. They are derivatives of a 10-carbon skeleton.


glutathione amide zwitterion

Zwitterionic form of glutathione amide having an anionic carboxy group and a protonated amino group; major species at pH 7.3.


Conjugate base of bhas#18-CoA


aspergildiene B

A sesterterpene.


Drimenyl diphosphate

Substrate for drimenol synthase


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-amino-N-(trans-3-carbamoyloxirane-2-carbonyl)-L-alanine; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.


StemRegenin 1

Inhibitor of the aryl hydrocarbon receptor


4-hydroxyproline zwitterion

The amino acid zwitterion formed from 4-hydroxyproline.


(2E,4E,6Z,8E)-3-Methyl-7-(p-tolyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid


organometallic compound

A compound having bonds between one or more metal atoms and one or more carbon atoms of an organyl group.


A zwitterion obtained by transfer of a proton from the carboxy to the primary amino group of 10-carboxy-13-deoxycarminomycin; major species at pH 7.3.


L-propargylglycine zwitterion

An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-propargylglycine. The major species at pH 7.3.


A sesquiterpene.


An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid; major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 42 carbons and 3 double bonds.


Category: Glycerolipids - Main Class: Other Glycerolipids (hydroxymethyl-choline) - Abbreviation: DGCC


Conjugate base of bhas#28-CoA


dipeptide zwitterion

Any peptide zwitterion comprising two amino acid residues. Major structure at pH 7.3.


calixaromatic

A macrocycle composed of aromatic groups.


An organic cation that is the conjugate acid of vilazodone.


Zwitterionic form of (S)-4-amino-5-oxopentanoic acid.


Conjugate base of bkas#20


N-formyl-D-kynurenine zwitterion

Zwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.


Conjugate base of ascr#3


DIMETHOXYMETHANE

An  acetal that is the dimethyl acetal derivative of formaldehyde.


Conjugate base of ascr#31


semisynthetic derivative

Any organic molecular entity derived from a natural product by partial chemical synthesis.


D-allothreonine zwitterion

A D-alpha-amino acid zwitterion that is D-allothreonine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.


NUZHENIDE

natural product found in Fraxinus angustifolia, Syringa vulgaris, and other organisms


CoA ester of bhos#22


organotellurate

A compound of the general formula M-TeR where R is an organyl group


An entity derived from (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid where the R is not defined.


A dihydroceramide with C17iso branched chain sphingoid base and C21:0 N-Acyl. Sum formula is C38H77NO3


CoA ester of bhas#14


CoA ester of bkos#36


gamma-linolenoyl bioconjugate

A bioconjugate obtained by coupling of gamma-linolenic acid to another biomolecule (e.g. coenzyme A, an acyl-carrier protein, a phospholipid, an oligosaccharide, a nucleic acid etc.), which for the sake of convenience, is represented by an R group.


dmPreQ1 monophosphate

2'-deoxy-7-methylaminomethyl-7-deazaguanosine 5'-monophosphate


O-methyl-L-tyrosine zwitterion

An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of O-methyl-L-tyrosine. The major species at pH 7.3.


A diether that is the 1,2-dimethyl ether of ethane-1,2-diol.


CoA ester of bhas#10


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 30 carbons and 2 double bonds.


DIQUAT

The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.


IUPAC name: 4-((4-((3-aminopropyl)amino)butyl)amino)-4-oxobutanoic acid; SMID (https://www.smid-db.org/): maspid#5


An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-4-yl)-L-alanine; major species at pH 7.3.


D-alanyl-(R)-lactic acid zwitterion

A zwitterion obtained by transfer of a proton from the carboxylic acid group to the amino group of D-alanyl-(R)-lactic acid. The major species at pH 7.3.


8-deoxy-NDH is a full agonist of the kainate-type ionotropic receptor, GluK1.


Conjugate base of ascr#12-CoA


3-hydroxyanthocyanidin cation

Any anthocyanin cation carrying a 3-hydroxy substituent.


2'-deoxyribose 5'-monophosphate residue

A deoxyribonucleotide residue that has lost its base either spontaneously or through the action of glycosylases.


Conjugate base of bkas#28


The zwitterion of a 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine, formed by transfer of a proton from the phospho hydroxy to the amine nitrogen.


GSK591 (EPZ015866) is a potent and selective inhibitor of protein methyltransferase 5 (PRMT5).


Conjugate base of bhos#24


Zwitterionic imine tautomer of alpha,beta-didehydrotryptophan.


N-benzoyl-D-arginine zwitterion

Zwitterionic form of N-benzoyl-D-arginine resulting from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3.


fumisoquin B zwitterion

A zwitterion obtained by transfer of a proton from the sulfate to the amino group of fumisoquin B; major species at pH 7.3.


Alexa Fluor 633

An organic molecular entity (structure not reported) that is a fluorescent dye with a maximum absorption wavelength at 632 nm and emission wavelength 647 nm. It is a bright and photostable far-red dye with excitation ideally suited to the 633 nm laser line. Alexa Fluor 633 succinimidyl ester is not suitable for labeling nucleic acids.


CoA ester of bhas#26


2,3-didehydrophenylalanine zwitterion

An amino acid zwitterion that is the alpha,beta-didehydro derivative of phenylalanine. Major microspecies at pH 7.3.


Zwitterionic form of 4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate.


A ceramide phosphoethanolamine zwitterion obtained by transfer of a proton from the phospho to the amino group of any N-acylphytosphingosine-1-phosphoethanolamine; major species at pH 7.3.


Translation Initiation Targets

The target that the mRNA translation initiates


Conjugate base of bkas#1


clavaminic acid zwitterion

Zwitterionic form of clavaminic acid.


desmethyl-dehydrogriseofulvin

Major microspecies at pH 7.3.


A sesterterpene.


A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Gly-Lys; major species at pH 7.3.


CoA ester of bkas#36


An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde


anthoxanthin

are a type of flavonoid pigments in plants. Anthoxanthins are water-soluble pigments which range in color from white or colorless to a creamy to yellow, often on petals of flowers.


Zwitterionic form of gamma-amino-beta-hydroxybutyric acid having an anionic carboxy group and a protonated amino group.


bioconjugate

A molecular entity consisting of at least 2 biological molecules covalently linked together.


S-prenyl-L-cysteine zwitterion

An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-prenyl-L-cysteine; major species at pH 7.3.


IdoA2S-GlcNS6S trisaccharide

IdoA2S-GlcNS6S-IdoA2S-GlcNS6S -IdoA2S-GlcNS6S


N(8),N'(8)-citryl-bis(spermidine) (+3)

Major species at pH 7.3


Zwitterionic form of beta-L-aspartylhydroxamic acid having an anionic carboxy group and a protonated amino group.


Conjugate base of bkos#12


An ether compound having methyl and isopropyl as the two alkyl groups.


Conjugate base of ascr#24


name: Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether


A dihydroceramide with C17iso branched chain sphingoid base and C25:0 N-Acyl. Sum formula is C42H85NO3


Zwitterionic form of 3-hydroxy-4-methyl-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3


Tyr-Gly-Gly zwitterion

A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Tyr-Gly-Gly. Major microspecies at pH 7.3.


fulvenes

The hydrocarbon fulvene and its derivatives formed by substitution (and by extension, analogues formed by replacement of one or more carbon atoms of the fulvene skeleton by a heteroatom).


name: 25-hydroxy-16,17,23,24-tetradehydrovitamin d3 / 25-hydroxy-16,17,23,24-tetradehydrocholecalciferol


The parent member of the class of 3'-methoxyflavones that is flavone which carries a methoxy group at the 3'-position.


An organic cation obtained by protonation of the amino groups and deprotonation of the phosphate group of any 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-lysyl)-sn-glycerol.


Conjugate acid of L-tyrosyl-L-arginine arising from deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus; major species at pH 7.3.


cyclopropanes

Cyclopropane and its derivatives formed by substitution.


A peptide cation obtained by protonation of the amino terminus of any peptidylamide; major species at pH 7.3.


UNC1999 is a SAM-competitive, potent and selective inhibitor of EZH2/1.


Conjugate base of bkos#24


name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester


PTEROPTERIN

Pteropterin is a crystalline conjugate of folic acid, having general properties of a polypeptide. Pteropterin differs from folic acid in that it consists of three molecules of glutamic acid instead of one.


A pyridinium ion that is L-alanine in which a methyl hydrogen is replaced by a 3,4-dioxidopyridinium-1-yl group.


metabolite of prednisolone


Gly-His zwitterion

A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of glycyl-L-histidine; major species at pH 7.3.


acid anhydride

Compounds consisting of two acyl groups bonded to the same oxygen atom acyl-O-acyl.


PE-NMe-HexCer 41:0;O4

A phosphorylated glycosphingolipid with 41 carbons. Contains a mono-methyl phosphoethanolamine residue


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 40 carbons and 3 double bonds.


Recombinant MCP-2(CCL8)

Recombinant Murine MCP-2 is an 8.5 kDa protein containing 74 amino acid residues including the four highly conserved cysteine residues present in the CC chemokines. AA Sequence:GPDKAPVTCC FHVLKLKIPL RVLKSYERIN NIQCPMEAVV FQTKQGMSLC VDPTQKWVSE YMEILDQKSQ ILQP


3-amino-L-alanine zwitterion

The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-L-alanine; major species at pH 7.3.


3-hydroxy-L-kynurenine zwitterion

Zwitterionic form of 3-hydroxy-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3


Gly-Met zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Met.


benzyl ether

A compound of formula PhCH2OR (R =/= H).


hercynylselenocysteine zwitterion

An L-alpha-amino acid zwitterion formed from hercynylselenocysteine by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


name: Recombinant Tumor Necrosis Factor TNF alpha (Zebrafish)

description: Tumor necrosis factor alpha is a member of the TNF Superfamily. It is produced chiefly by activated macrophages, but it is produced also by a broad variety of cell types including lymphoid cells, mast cells, endothelial cells, cardiac myocytes, adipose tissue, fibroblasts, and neuronal tissue. Protein Sequence:AAIHLTGGYN SESKTLDWRD DQDQAFSSGG LKLVNREIII PDDGIYFVYS QVSLHISCTS ELTEEQVLMS HAVMRFSESY GGKKPLFSAI RSICTQEPES ENLWYNTIYL GAAFHLREGD RLGTDTTTAL LPMVENDNGK TFFGVFGL


X5050 is a REST inhibitor.


CoA ester of bhas#9


An acetal that is dimethoxymethane substituted by a methyl group at position 1.


Conjugate base of bhos#26


Major microspecies at pH 7.3.


name: 3-guanidinopropane sulfonic acid zwitterion

description: Zwitterionic form of 3-guanidinopropane sulfonic acid arising from transfer of a proton from the sulfo to the guanidino group; major species at pH 7.3.


CoA ester of bkos#22


DELPHINIDIN

An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium.


tripeptide zwitterion

A peptide zwitterion obtained from the tranfer of a proton from the carboxy group to the amino group of any tripeptide. It contains an equal number of positively-charged and negatively-charged functional groups. Major structure at pH 7.3.


A phosphoethanolamine-glycosyl-phosphatidylinositol derivative where R1 can be an alkyl or an acyl group, R2 and R3 are both acyl groups of undefined composition.


N-methyl-aminoisobutyrate zwitterion

The conjugate base of N-methylaminoisobutyric acid obtained from the deprotonation of the carboxy group; major species at pH 7.3.


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate.


cyclitol ether

An ether in which the ethereal oxygen is derived from one of the hydroxy groups of a cyclitol.


A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of any (E)-1-(glycyl-L-cystein-S-yl)-omega-(methylthio)alkylhydroximate; major species at pH 7.3.


name: (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid


Conjugate base of ascr#23


name: 2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid methyl ester


N-alkylglycine zwitterion

An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of any N-alkylglycine; major species at pH 7.3.


A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid.


DERIVATIVE 8


L-proline zwitterion

The zwitterion formed from L-proline by proton transfer from the carboxy group to the ring nitrogen. It is the predominant species at physiological pH.


Conjugate base of bhas#32


A non-proteinogenic amino acid that contains a 1,2,4,5-tetrazine-methyl group that can be used for bio-orthogonal, click-chemistry reactions when reacted with strained trans-cyclooctenes.


An amino acid zwitterion obtained by transfer of a proton from the carboxy group to the primary amino group of 7-(3-methylbut-2-enyl)-L-tryptophan. Major species at pH 7.3.


statin (naturally occurring)

Any statin that occurs in nature. The class includes compactin (also known as mevastatin), isolated from a fermentation broth of Penicillium citrinum, and lovastatin, isolated from Aspergillus terreus.


S-alkyl-L-cysteine zwitterion

An S-substituted L-cysteine zwitterion in which the S-substituent can be any alkyl group.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 34 carbons and 2 double bonds.


A hexosyl ceramide with C17iso branched chain sphingoid base and C22:0(OH) N-Acyl. Sum formula is C45H87NO9


PETUNIDIN

An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'.


3-methoxytyramine sulfate zwitterion

A zwitterion obtained by transfer of a proton from the sulfate to the amino group of 3-methoxytyramine sulfate; major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which unspecified acyl and alkyl groups are located at positions 1 and 2 respectively.


Zwitterionic form of 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid.


N-ethylglycine zwitterion

Zwitterionic form of N-ethylglycine.


CoA ester of bkos#16


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl and acyl groups (positions not specified) contain a total of 38 carbons and 7 double bonds.


name: Glycoprotein with the oligosaccharide chain attached by N-glycosyllinkage to protein L-asparagine


Effector protein

A protein secreted by microbial pathogens that alter host cells to suppress host defence mechanisms and facilitate infection by the pathogen so it can derive nutrients from the host


(+)-Alloaromadendrene

Sesquiterpene from Agelas clathrodes


This drug is a zinc metalloendopeptidase inhibitor with cardiovascular effects similar to ACE inhibitors.


Conjugate base of ascr#19


name: 4-amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate zwitterion

description: Zwitterionic form of 4-amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate having an anionic phosphate group and a protonated amino group; major species at pH 7.3.


5-aminopentanoic acid zwitterion

Zwitterionic form of 5-aminopentanoic acid having an anionic carboxy group and a protonated amino group.


CoA ester of bkos#24


CoA ester of bhas#38


Compound 77

GlcA-GlcNS6S-IdoA2S-GlcNS6S -IdoA2S-GlcNS6S


D-alpha-phenylglycine zwitterion

A D-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of D-alpha-phenylglycine; major species at pH 7.3.


CoA ester of bhas#36


L-methionine sulfoximine zwitterion

An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-methionine sulfoximine; major miscrospecies at pH 7.3.


N(6)-hydroxy-L-lysine zwitterion

Zwitterionic form of N(6)-hydroxy-L-lysine having an anionic carboxy group and a cationic amino group; major species at pH 7.3.


Conjugate base of ascr#33


antibiotic antifungal agent

Heteroorganic entities that are microbial metabolites (or compounds derived from them) which have significant antifungal properties.


An organic cation that is porphyrin bearing four 1-methylpyridinium-4-yl groups at the 5-, 10-, 15- and 20-positions.


aclacinomycin T zwitterion

A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin T. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Compound 7 in ref.


L-alloisoleucine zwitterion

An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of L-alloisoleucine; major species at pH 7.3.


tetrahomomethionine zwitterion

Zwitterionic form of tetrahomomethionine.


diglyme

A polyether that is the dimethyl ether derivative of diethylene glycol.


Conjugate base of ascr#22


small molecule


cembrene A

A diterpene


Conjugate base of ascr#28-CoA


beta-alanyl-L-lysinium

A peptide cation that is the conjugate acid of beta-alanyl-L-lysine zwitterion, arising from the protonation of one of the amino groups. Major species at pH 7.3.


S-(4-bromophenyl)-L-cysteine zwitterion

An amino acid zwitterion obtained via transfer of a proton from the carboxy to the amino group of S-(4-bromophenyl)-L-cysteine; major species at pH 7.3.


A zwitterion resulting from the transfer of a proton from the phosphonic acid group to the amino group of (3-aminopropyl)phosphonic acid; the major species at pH 7.3.


streptomycin 6-phosphate(1+)

Conjugate acid of streptomycin 6-phosphate arising from deprotonation of the phosphate OH groups and protonation of the secondary amino and both guanidino groups; major species at pH 7.3.


Conjugate base of ascr#26


An N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide which contains a (R)-1-hydroxypentadecyl chain and an undefined fatty acyl chain.


4-amino-L-phenylalanine zwitterion

An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-amino-L-phenylalanine; major species at pH 7.3.


The stereoconfiguration is based on CHEBI:134612, pmid:20810662


HA Binder_6b

310 helical peptide with hyaluronic acid binding domains


An organic cation obtained by abstraction of a hydride from position 7 of 2,6,9-trimethyl-13-oxatetracyclo[6.3.1.1(6,9).0(1,5)]tridecane.


TAK-418 is a selective, orally active LSD1 (KDM1A) enzyme inhibitor. TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.


Insularoside 3',6''-diglucoside

Insularoside 3',6''-diglucoside is a natural product found in Fraxinus insularis and Fraxinus pennsylvanica


organozinc halide

An organozinc compound where the zinc atom is bound to a halogen atom.


(4S)-4-hydroxy-L-isoleucine zwitterion

An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of (4S)-4-hydroxy-L-isoleucine; major species at pH 7.3.


name: 8-[(2,6-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-8-oxooctanoic acid methyl ester


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 44 carbons and 3 double bonds.


Conjugate base of 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine where both carboxy groups are anionic and both the primary and secondary amino groups are protonated; major species at pH 7.3.


(3S)-3-hydroxy-L-asparagine zwitterion

Zwitterionic form of (3S)-3-hydroxy-L-asparagine.


Trideca-sulfo-hyaluronan-hexasaccharide, degree of sulfation 4.3


Cys-Gly disulfide dizwitterion

A peptide zwitterion obtained by transfer of two protons from the carboxy to the amino groups of Cys-Gly disulfide; major species at pH 7.3.


GSK503 is a potent and specific inhibitor of EZH2 methyltransferase.


A cyclic polyether isolated from the toxic dinoflagellate Dinophysis acuta.


An organic cation that is the monoprotonated form of procaine.


triglyme

A  polyether that consists of dodecane in which the carbon atoms at positions 2, 5, 8 and 11 are replaced by oxygen atoms.


Conjugate base of bhos#36-CoA


L-methionine (R)-S-oxide zwitterion

Zwitterionic form of L-methionine (R)-S-oxide.


(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-YL)benzylidene]piperidin-2-one


Zwitterionic form of (5S)-5-amino-3-oxohexanoic acid.


The zwitterion of a phosphatidyl-N-methylethanolamine compound formed by proton transfer from the phosphate to the secondary amino group.


graphene nanoparticle

A nanoparticle composed of graphene.


A 2-(3-amino-3-carboxypropyl)-L-histidine dizwitterion arising from transfer of two protons from the carboxy to the amino groups of 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine.


Lacto-N-neodecaose

Human milk oligosaccharide (HMO


Liebigeic acid

An unsaturated fatty acid found in vernix caseosa.


3-chloro-L-alanine zwitterion

Zwitterionic form of 3-chloro-L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3


calix(hetero)arene

A calixaromatic compound composed of heteroarylene groups.


Leu-Gly zwitterion

A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-Gly. Major species at pH 7.3.


L-allothreonine zwitterion

Zwitterionic form of L-allothreonine.


Conjugate base of bhos#34


An organic cation obtained by deprotonation of the carboxy group and protonation of the two amino functions of epivancomycin; major species at pH 7.3.


Conjugate base of ascr#28


An L-alpha-amino acid zwitterion obtained from L-2-amino-4-chloropent-4-enoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.


1-salicylate O-glucuronide(1-)

metabolite of salicylate


N-formimidoylglycine zwitterion

Zwitterion form of N-formimidoylglycine.


Ala-Gly zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gly.


diketide

A polyketide compound synthesized from two ketide units. Diketides are derivatives of a 4-carbon skeleton.


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp.


alkynylborate salt

A salt R4B(-)M(+) where at least one of the R groups is an alkynyl group.


Major species at pH 7.3


calixpyrrole

A macrocycle composed of pyrrole-2,5-diyl groups linked by methylene groups. The number of pyrrole-2,5-diyl units in the macrocycle is denoted by the "n" in calix[n]pyrrole name.


L-cystathionine dizwitterion

Dizwitterionic form of L-cystathionine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.


beta-alanyl-L-lysine zwitterion

A dipeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of beta-alanyl-L-lysine.


PE-NMe-HexCer 44:0;O4

A phosphorylated glycosphingolipid with 44 carbons. Contains a mono-methyl phosphoethanolamine residue


Merosterolic acid A

Meroterpenoid from Scytonema sp. cyanobacteria


Lewis A antigen

One of the blood groups of the Lewis antigen system


An organic cation that is 1-pyrroline bearing an N-(3-aminopropyl) substituent.


Major species at pH 7.3.


Conjugate base of bkos#30


An amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine.


nonaketide

Nonaketides are polyketide compounds that are synthesized from nine ketide units. They are derivatives of a 18-carbon skeleton.


15-demethylaclacinomycin T zwitterion

A zwitterion obtained by transfer of a proton from the carboxy to the tertiary amino group of 15-demethylaclacinomycin T.


rhombohedral graphite

A thermodynamically unstable allotropic form of graphite with an ABCABC stacking sequence of the layers.


isoskyrin

A member of the class of bianthracenes resulting from the oxidative dimerisation of emodin between position 4 of one molecule and position 5 of the other.


Conjugate base of ascr#14-CoA


GS4012 free base(1+)

A pyridinium ion obtained by protonation of the pyridine nitrogen of GS4012 free base.


DERIVATIVE 7


lipid micelle

Lipid molecules that aggregate and arrange themselves in a spherical form in aqueous solution. These spherical amphiphilic structures have a hydrophobic core and a hydrophilic shell.


CoA ester of bkas#34


dopamine 4-O-sulfate zwitterion

A zwitterion obtained by transfer of a proton from the sulfonyl to the amino group of dopamine 4-O-sulfate; major species at pH 7.3.


QUERCETAGETINIDIN

An anthocyanidin cation that is cyanidin substituted by a hydroxy group at position 6.


peptide cation

A cation formed by protonation of a peptide.


dibutyryl-cAMP

dibutyryl-cAMP


Geobarrettin C

Indolecarboxamide derivative


Conjugate base of ascr#36-CoA


An entity derived from (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid where the R is not defined.


2,2-dialkylglycine zwitterion

The zwitterionic form of a 2,2-dialkylglycine.


Conjugate base of ascr#20-CoA


kanamycin A(4+)

A quadruply-charged organic cation arising from protonation of the four amino groups of kanamycin A; major species at pH 7.3.


hercynylcysteine sulfoxide zwitterion

An L-alpha-amino acid zwitterion formed from hercynylcysteine sulfoxide by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


Conjugate base of bkos#26


5-hydroxy-L-kynurenine zwitterion

Tha amino acid zwitterion formed from 5-hydroxy-L-kynurenine by transfer of a proton from the carboxy to the amino group; principal  microspecies at pH 7.3.


CoA ester of ascr#18


Conjugate base of bhas#20-CoA


ceralasertib

Ceralasertib is an orally available morpholino-pyrimidine-based inhibitor of ataxia telangiectasia and rad3 related (ATR) kinase, with potential antineoplastic activity. Upon oral administration, Ceralasertib selectively inhibits ATR activity by blocking the downstream phosphorylation of the serine/threonine protein kinase CHK1. This prevents ATR-mediated signaling, and results in the inhibition of DNA damage checkpoint activation, disruption of DNA damage repair, and the induction of tumor cell apoptosis.


Metabolite


L-dihydroanticapsin zwitterion

An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-dihydroanticapsin; major species at pH 7.3.


bianthracenes

A biaryl resulting from the formal oxidative coupling of the aromatic rings of two anthracene ring systems.


ovothiol A zwitterion

An L-alpha-amino acid zwitterion formed from ovothiol A by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


A member of the class of cyclopentanes that is cyclopentane substituted by a 1-methylbutyl group.


name: 6-[(2,6-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-6-oxohexanoic acid methyl ester


Polymeric sulfated hyaluronan, degree of sulfation 3.5


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 32 carbons and 0 double bonds.


A dipeptide cation that is the conjugate acid of any L-aminoacyl-L-lysine; major species at pH 7.3.


Conjugate base of bkas#36


NP-313 is a specific small molecule inhibitor of ubiquitin-like protein UHRF1, binds with the SRA domain groove of UHRF1.


R-H

Any organic molecular entity that contains at least one activated carbon-hydrogen (C-H) bond. R can be any aliphatic or aromatic group.


An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the imino group of (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid; major species at pH 7.3.


Isobazzanene

Sesquiterpene from Lepista nuda


An organic cation obtained by protonation of the imidazole group of (S)-sertaconazole


a-muuroladiene

A sesquiterpene


lipo-chitin oligosaccharide

Glycolipid signal molecules that mediate the species-specific symbiosis between rhizobial bacteria and leguminous plants. Comprised of an oligosaccharide backbone of beta (1-4) linked N-acetyl-D-glucosamine (GlcNAc) which varies in length between two and six residues and which is decorated with a combination of chemical moieties that helps encode species-specificity.


sulfonylimidate

A compound of the general formula R'-N=C(OR)SO2R''.


name: 4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester


graphene

A single carbon layer of the graphite structure, describing its nature by analogy to a polycyclic aromatic hydrocarbon of quasi infinite size.


nocardicin C dizwitterion

An alpha-amino acid zwitterion resulting from a transfer of two protons from the carboxy groups to the amino groups of nocardicin C; major species at pH 7.3.


CoA ester of ascr#5


selenomethionine

A selenoamino acid that is the selenium analogue of methionine.


HEPATAMETHOXYFLAVONE

A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3', 4' and 5'.


N(5)-ethyl-L-glutamine zwitterion

An amino acid zwitterion of N(5)-ethyl-L-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


Gly-Gly-Pro zwitterion

A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Gly-Gly-Pro. Major microspecies at pH 7.3.


D-methionine zwitterion

Zwitterionic form of D-methionine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


organozinc compound

A compound containing at least one carbon-zinc bond.


Xaa-L-proline zwitterion

A dipeptide with a C-terminal L-proline residue; major microspecies at pH 7.3.


methoxyflavone

Any member of the class of flavones with at least one methoxy substituent.


A sesquiterpene.


methyl capped structure of ACCCCC (Adenosine+5 cytosine)


A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Phe-Arg; major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 36 carbons and 2 double bonds.


A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain amino group and the amino terminus of Lys-Pro; major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 40 carbons and 5 double bonds.


An organic anion that is the conjugate base of 2'-hydroxyrifampicin resulting from the deprotonation of the 6-hydroxy group; Major species at pH 7.3 (according to Marvin v 6.2.0.).


serine phosphoethanolamine dizwitterion

Dizwitterionic form of serine phosphoethanolamine having anionic carboxy and phosphate groups and both amino groups protonated.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 38 carbons and 0 double bonds.


hexagonal graphite

The thermodynamically stable form of graphite with an ABAB stacking sequence of the graphene layers. Hexagonal graphite is thermodynamically stable below approximately 2600 K and 6 GPa.


Xevinapant

Xevinapant


heteroorganic entity

A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms.


dinapinone A

I would ideally like to have both the M and the P atropisomer, but I don't know how to indicate atropisomerism


Conjugate base of bkos#1


D-alpha-amino acid zwitterion

Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group.


dihomomethionine zwitterion

Zwitterionic form of dihomomethionine.


A glucosaminyl-phosphatidylinositol derivative where R1, R2 and R3 are acyl groups of undefined composition.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 32 carbons and 3 double bonds.


Conjugate base of bkas#1-CoA


D-alanyl-AMP zwitterion

A zwitterion resulting from the transfer of a proton from the phosphate to the amino group of D-alanyl-AMP; major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 36 carbons and 0 double bonds.


CoA ester of bkas#22


cetraxate zwitterion

Zwitterionic form of cetraxate arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 8-amino-3,8-dideoxy-alpha-D-manno-octulosonic acid; major species at pH 7.3.


Conjugate base of bhas#36-CoA


phenylpropane

Phenylpropane is a colorless liquid. The compound consists of a phenyl group attached to allyl. Phenylpropene isomerizes to trans-propenylbenzene.


A zwitterion that is derived from 3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups; major species at pH 7.3.


D-glutamine zwitterion

Zwitterionic form of D-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


Major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 38 carbons and 3 double bonds.


brilliant cresyl blue(1+)

An organic cation that is phenoxazin-5-ium substituted by methyl, amino and diethylamino groups at positions 2, 3 and 7 respectively. The tetrachlorozincate salt salt is the histological dye 'brilliant cresyl blue'.


An amino acid zwitterion obtained from N(omega),N'(omega)-dimethyl-L-arginine by transfer of a proton from the carboxylic acid group to the alpha-amino group.


An alpha-amino-acid residue derived from N6-[(R)-S8-isobutyryldihydrolipoyl]-L-lysine.


DERIVATIVE 12


Zwitterionic form of O-(1->4)-alpha-L-dihydrostreptosylstreptidine 6-phosphate arising from transfer of two protons from the phosphate to the guanidino groups; major species at pH 7.3.


Ala-Pro zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Pro.


An L-alpha-amino acid zwitterion that is 2'-alpha-mannosyl-L-tryptophan in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.


name: Cocaine- and Amphetamine- regulated transcript (42-89)


His-Gly zwitterion

A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of His-Gly; major species at pH 7.3.


CHARCOAL, ACTIVATED

An allotropic form of the element carbon with cubic structure which is thermodynamically stable at pressures above 6 GPa at room temperature and metastable at atmospheric pressure. At low pressures diamond converts rapidly to graphite at temperatures above 1900 K in an inert atmosphere. The chemical bonding between the carbon atoms is covalent with sp(3) hybridization.


name: Calcitonin receptor-stimulating peptide 1


gentamycin 2''-phosphate dizwitterion

A zwitterion that is derived from a gentamycin 2''-phosphate by deprotonation of the phosphate OH groups and protonation of the amino groups.


CoA ester of ascr#27


tolonium

An organic cation that is phenothiazin-5-ium substituted by methyl, amino and dimethylamino groups at positions 2, 3 and 7 respectively. The chloride salt is used as a  histological dye.


6-aminopenicillanic acid zwitterion

Zwitterionic form of 6-aminopenicillanic acid arising from migration of a proton from the carboxy group to the 6-amino group; major species at pH 7.3.


dfPreQ1 monophosphate

2'-deoxy-7-formylaminomethyl-7-deazaguanosine 5'-monophosphate


4-(methylamino)butyric acid zwitterion

An amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of 4-(methylamino)butyric acid.


name: Kaempferol 7,4'-dimethyl ether 3-O-sulfate


An amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid zwitterion.


An amino acid zwitterion obtained from N(2)-(2-carboxyethyl)-L-arginine by the removal of a proton for both of the carboxy groups and the addition of a proton to the alpha-amino group and to the guanidyl group.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 38 carbons and 1 double bond.


bacterial virulence gene B

A bacterial gene that can produce a gene product that is at least partially responsible for enabling a bacterium to be pathogenic


A glycosyl-phosphatidylinositol derivative where R1 can be an alkyl or an acyl group, R2 and R3 are both acyl groups of undefined composition.


cleisthantin derivative

vacuolar ATPase inhibitor


Conjugate base of ascr#35


An optically active form of 3-ammonio-3-phenylpropanoate having (R)-configuration.


cyclolavandulyl diphosphate

A monoterpene.


ferriheme c di-L-cysteine(1-) residue

An organic anionic group that is ferriheme c(1-) bound to cytochrome c by two L-cysteine residues; major species at pH 7.3.


2-iminobutanoic acid zwitterion

An amino acid zwitterion obtained by transfer of a proton from the carboxy to the imino group of 2-iminobutanoic acid.


birabresib

Birabresib (OTX-015) is a potent bromodomain (BRD2/3/4) inhibitor.


An amino acid zwitterion resulting from the transfer of a proton from the carboxy to the side-chain amino group of any N(2)-[(3R)-3-(2-saturated-acyloxy)acyl]-L-ornithine; major species at pH 7.3.


O-acetylhomoserine zwitterion

An alpha-amino acid zwitterion that is O-acetylhomoserine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.


A monoatomic tetracation resulting from the loss of four electrons from carbon-12.


cumulene

Hydrocarbons (and by extension, derivatives formed by substitution) having three or more cumulative double bonds, e.g. R2C=C=C=CR2.


Conjugate base of ascr#35-CoA


BAICALEIN TRIMETHYL ETHER

A trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity.


CoA ester of bhos#20


DIPHENYLETHER

An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.


ketene acetal

An organooxygen compound having the structure RR'C=C(OR'')(OR''') where R'', R''' =/= H. Formally, they are ethers of the enolic form of esters. They bear the same structural relationship to ketenes that acetals bear to aldehydes and ketones.


protein binder

A binding protein is any protein that acts as an agent to bind two or more molecules together.


A ceramide phosphoethanolamine zwitterion obtained by transfer of a proton from the phospho to the amino group of any N-acylhexadecasphingosine-1-phosphoethanolamine; major species at pH 7.3.


A ceramide phosphoethanolamine zwitterion obtained by transfer of a proton from the phospho to the amino group of any N-acylsphinganine-1-phosphoethanolamine; major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl or acyl groups at positions 1 and 2 contain a total of 42 carbons and 5 double bonds.


A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 2', 4' and 5'.


organoboron compound

A compound containing at least one carbon-boron bond.


A dihydroceramide with C17iso branched chain sphingoid base and C26:0 N-Acyl. Sum formula is C43H87NO3


vancomycin aglycone zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of vancomycin aglycone.


PELARGONIDIN

An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'.


name: methoxyiminoacetate strobilurin antifungal agent


An organic cation obtained by protonation of the imidazole group of (R)-eberconazole.


N-sulfonylimidate

A compound of the general formula RSO2-N=C(OR1)R2 where R, R1 and R2 can be H or organyl.


name: C-terminal amide O-palmitoyl-L-threonine residue


diketopiperazine Trp-Arg present in the deep-sea sponge Geodia barretti


bifonsecin B

I would like to have the M atropisomer, but I don't know how to indicate atropisomerism


6-Thioguanosine diphosphate(3-)

A pharmacologically active metabolite of azathioprine


Conjugate base of ascr#32-CoA


CoA ester of ascr#26


L-tyrosine zwitterion

An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-tyrosine; major species at pH 7.3.


tetramethoxyflavone

Any methoxyflavone with four methoxy substituents.


substituted beta-amino acid zwitterion

An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any substituted beta-amino acid; major species at pH 7.3.


An organic cation obtained by protonation of retaspimycin.


An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of (2S)-2-acetamido-4-aminobutanoic acid; major species at pH 7.3.


CoA ester of ascr#9


9-deoxy-NDH is a partial agonist of the kainate-type ionotropic receptor, GluK1.


Conjugate base of ascr#9-CoA


tritylium

An organic cation formed by loss of a proton from the central carbon of triphenylmethane.


A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the amino groups of Arg-Gly; major species at pH 7.3.


Compound 3 in ref.


Conjugate base of bhas#12-CoA


Glu-Arg-Gly-Met-Thr zwitterion

A pentapeptide zwitterion resulting from transfer of protons from the carboxy to the amino groups of L-glutamyl-L-arginyl-glycyl-L-methionyl-L-threonine; major species at pH 7.3. It is a quorum-sensing molecule secreted by Bacillus subtilis.


name: guanidinoethyl methyl phosphate zwitterion

description: Zwitterionic form of guanidinoethyl methyl phosphate arising from transfer of a proton from the phospho to the guanidino group; major species at pH 7.3.


L-allysine zwitterion

An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-allysine; major species at pH 7.3.


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate.


name: 4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester


Conjugate base of bhas#16-CoA


3-bromo-L-tyrosine zwitterion

Zwitterionic form of 3-bromo-L-tyrosine having an anionic carboxy group and a protonated amino group; major microspecies at pH 7.3.


Conjugate base of bkas#30-CoA


3-hydroxy-D-kynurenine zwitterion

Zwitterionic form of 3-hydroxy-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major microspecies at pH 7.3


An organic cation that is the conjugate acid of lurasidone.


neurotensin (1-12)(1+)

A peptide cation obtained from the deprotonation of the carboxy groups of L-alpha-glutamyl and L-isoleucine residues, and protonation of the side chains of L-lysyl and L-arginyl residues of neurotensin (1-12). It is the major species at pH 7.3.


An organic cation that is DH335 lacking the bromide couterion.


An amino acid zwitterion resulting from the transfer of a proton from the carboxy to the side-chain amino group of any N(5),N(5)-dimethyl-N(2)-[(3R)-3-(acyloxy)acyl]-L-ornithine; major species at pH 7.3.


PE-NMe-HexCer 39:0;O4

A phosphorylated glycosphingolipid with 39 carbons. Contains a mono-methyl phosphoethanolamine residue


Conjugate base of ascr#38-CoA


A cyclitol ether formed by etherification of the 5-hydroxy group of 1D-chiro-inositol.


Conjugate base of ascr#30


methoxyethane

An ether that is the methyl ether derivative of ethanol.


CoA ester of bhos#32


allysine zwitterion

Zwitterionic form of allysine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.


Conjugate base of bkos#20-CoA


N(alpha)-methyl-L-tryptophan zwitterion

An N-methyl-L-alpha-amino acid zwitterion derived from N(alpha)-methyl-L-tryptophan.


Candidate tetrodotoxin biosynthetic intermediate isolated from the Okinawan newt Cynops ensicauda popei in Kudo et al. 2014


Conjugate base of bhos#16


(beta-D-glucosyl)-O-mycofactocinol

Published in DOI:10.1039/d0sc01172j


N-deacetylisoipecoside aglycone(1+)

An organic cation that is the conjugate acid of N-deacetylisoipecoside aglycone, arising from protonation of the secondary amino group; major species at pH 7.3.


name: 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate


glycerol ether

Any ether having glyceryl as at least one of the O-substituents.


Zwitterionic form of 7beta-aminocephalosporanic acid.


Conjugate base of bkas#34


An acridinium ion resulting from the protonation of the endocyclic nitrogen of 3,6-diaminoacridine.