HODE

Hydroxy-octadecadienoic acids, formed in mammalian cells from the corresponding hydroperoxy compounds (HPODEs).


resolvin

Hydroxy fatty acids that are di- or trihydroxy metabolites of the polyunsaturated omega-3 fatty acids, particularly icosapentaenoic acid, docosahexaenoic acid and docosapentaenoic acid.


3-hydroxyoctanoic acid

An 8-carbon, beta-hydroxy fatty acid which may be a marker for primary defects of beta-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves.


(S)-2-hydroxylauric acid

The (S)-enantiomer of 2-hydroxylauric acid.


(S)-3-hydroxylauric acid

The (S)-enantiomer of 3-hydroxylauric acid.


hydroxy polyunsaturated fatty acid

Any polyunsaturated fatty acid carrying one or more hydroxy substituents.


(omega-1)-hydroxy fatty acid

A hydroxy fatty acid that is a straight-chain fatty acid in which one of the hydrogens attached to the carbon adjacent to the terminal methyl group (i.e. at the (omega-1) position) is replaced by a hydroxy group.


3-HYDROXYBUTYRIC ACID, (+/-)-

A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics.


leptomycin

A complex, very long chain, polyunsaturated fatty acid whose core structure comprises 8-oxononadeca-2,10,12,16,18-pentaenoic acid having methyl substituents at positions 3, 5, 7, 9, 11 and 15 and a 3,6-dihydropyran-6-one-2-yl group at position 19.


(R)-2-hydroxylauric acid

The (R)-enantiomer of 2-hydroxylauric acid.


2-hydroxy fatty acid

Any fatty acid with a hydroxy functional group in the alpha- or 2-position.


A trienoic fatty acid that consists of heptadeca-5,8,10-trienoic acid bearing an additional 12-hydroxy substituent.


(R)-3-hydroxylauric acid

The (R)-enantiomer of 3-hydroxylauric acid. An intermediate in fatty acid biosynthesis.


3-hydroxy fatty acid

Any fatty acid with a hydroxy functional group in the beta- or 3-position. beta-Hydroxy fatty acids accumulate during cardiac hypoxia, and can also be used as chemical markers of bacterial endotoxins.


A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9.


hydroxybutyric acid

Any compound comprising a butyric acid core carrying at least one hydroxy substituent.


DL-TRYPTOPHAN

An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.


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category: biolink:Disease biolink:DiseaseOrPhenotypicFeature biolink:BiologicalEntity biolink:ThingWithTaxon biolink:NamedThing


A phosphate ion that is the conjugate base of hydrogenphosphate.


glycophospholipid

Any phospholipid that contain both phosphate and carbohydrate as integral structural components.


aryl dialkyl phosphate

Any aryl phosphate having a single aryl substituent and two alkyl substituents.


1,2-diacyl-sn-glycerol 3-diphosphate

An sn-glycerol 3-phosphate having unspecified acyl groups at the 1- and 2-positions.


UDP-sugar

A pyrimidine nucleotide-sugar having UDP as the nucleotide component attached to an unspecified sugar via an anomeric diphosphate linkage.


UDP-D-galactose

A UDP-sugar having D-galactose as the sugar component.


purine arabinonucleoside monophosphate

A purine nucleoside monophosphate in which the sugar component is specified as arabinosyl.


adenyl nucleotide

A  nucleotide having adenine as the base.


pyrimidine nucleotide-sugar

A nucleotide-sugar whose nucleobase is a pyrimidine.


nucleoside 5'-phosphate

A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated.


O-phosphoserine

A serine derivative that is serine substituted at the oxygen atom by a phosphono group.


nucleoside phosphate

A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates.


2-deoxyribose phosphate

A deoxyaldopentose phosphate in which the deoxyaldopentose is 2-deoxyribose.


A ceramide phosphoinositol compound having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen.


inorganic phosphate salt

A phosphate salt that lacks C-H bonds


sphingoid 1-phosphate

A generic class of  phosphosphingolipids, encompassing monophosphorylated derivatives of sphinganine, its homologues and stereoisomers, as well as the hydroxy and unsaturated derivatives of these compounds.


UDP-D-glucose

A UDP-sugar having D-glucose as the sugar component.


deoxyribonucleotide

A nucleotide in which the ribose moiety has one or more of its hydroxy groups substituted by hydrogen.


aldonic acid phosphate

An aldonic acid in which at least one of the hydroxy groups has been phosphorylated.


diadenosyl tetraphosphate

A diadenosyl polyphosphate that consists of two adenosinyl moieties bridged by a tetraphosphate.


guanyl nucleotide

A nucleotide having guanine as the base.


nucleotide

A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid.


phospho sugar

Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid.


diadenosyl polyphosphate

A dinucleotide that consists of two adenosine moieties bridge by a chain of a variable number (from two to six) of phosphate units.


inorganic phosphate

Any  phosphate that contains no carbon atom.


ribonucleoside bisphosphate

A nucleoside bisphosphate where sugar of the nucleoside is ribose.


pentose phosphate

Any phospho sugar that is the phosphate derivative of pentose.


phospholipid

A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides.


guanyl deoxyribonucleotide

A purine 2'-deoxyribonucleotide where the purine is guanine.


nucleoside 3',5'-cyclic phosphate

A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate.


UDP-D-glucuronic acid

A UDP-sugar having D-glucopyranuronic acid as the sugar component.


purine nucleotide

Any nucleotide that has a purine nucleobase.


purine nucleoside bisphosphate

A nucleoside bisphosphate that has a purine nucleobase.


2'-deoxyribonucleoside 5'-monophosphate

A 2'-deoxyribonucleoside monophosphate compound with the phosphate group in the 5'-position.


acyl-CoA

A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid.


pyrazolone

A member of the class of pyrazoles in which one of the carbons of the pyrazole ring is substituted by an oxo group.


oxalate salt

An organic salt derived from oxalic acid.


tissue

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

description: Multicellular anatomical structure that consists of many cells of one or a few types, arranged in an extracellular matrix such that their long-range organisation is at least partly a repetition of their short-range organisation.


Microanatomic Structure

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

description: Those anatomic structures that are generally only visible through the use of microscopy.


organism subdivision

description: Anatomical structure which is a subdivision of a whole organism, consisting of components of multiple anatomical systems, largely surrounded by a contiguous region of integument.


Macromolecular Structure

description: Any very large complex molecule including, proteins, nucleic acids and carbohydrates, especially refering to the particular arrangement of its component atoms and groups.


Protein Structure

description: The amino acids and their 3-D arrangement in constituting a protein.


Amino Acid Sequence

description: The sequence of amino acids along a polypeptide chain.


Nutlin

Nutlins (for Nutley inhibitors) are a family of cis-imidazoline analogues. They are MDM2 antagonists and are named after the location (Nutley) in which they were developed.


thioctic acid

A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.


(S)-efonidipine

A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (S)-configuration. It is a blocker of L- and T-type Ca(2+) channels.


(S)-ethosuximide

The (S)-enantiomer of ethosuximide.


THIOPHENE

Compounds containing at least one thiophene ring.


ROTOXAMINE

The (R)- (inactive) enantiomer of carbinoxamine.


ribonucleoside

Any nucleoside where the sugar component is D-ribose.


pyranone

Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent.


tetrahydrofuranone

Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.


methylpyridines

Any member of the class of pyridines that carries at least one methyl substituent.


pyrroline

Any organic heteromonocyclic compound with a structure based on a dihydropyrrole.


A methyl phenyl(piperidin-2-yl)acetate that has R configuration alpha to the carbonyl group and S configuration at the stereocentre bearing the nitrogen.


cPTIO

A mmeber of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3lambda(5)-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl group.


pyrrolidines

Any of a class of heterocyclic amines having a saturated five-membered ring.


(R)-paliperidone

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (R)-enantiomer of paliperidone.


(S)-thalidomide

A 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre.


(S)-eperisone

A 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one that has S configuration.


monohydroxypyridine

A hydroxypyridine carrying a single hydroxy substituent.


(S)-eliprodil

The S-enantiomer of eliprodil.


oxanes

Any organic heteromonocyclic compoundthat is oxane or its substituted derivatives.


oxolanes

Any oxacycle having an oxolane (tetrahydrofuran) skeleton.


ROTOXAMINE

The (S)- (active) enantiomer of carbinoxamine.


(S)-ranolazine

An N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide that is the (S)-enantiomer of ranolazine (the racemate is a drug used for treatment of chronic angina).


(S)-cycrimine

The (S)-enantiomer of cycrimine.


aminopyridine

Compounds containing a pyridine skeleton substituted by one or more amine groups.


(S)-paliperidone

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (S)-enantiomer of paliperidone.


piperidinemonocarboxylic acid

Any member of the class of piperidines in which one of the carbons of the piperidine ring is substituted by a carboxy group.


nucleoside

An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents.


(R)-eperisone

A 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one that has R configuration.


A pyranone based on the structure of 2H-pyran-2-one and its substituted derivatives.


cyanopyridine

Any pyridine carrying at least one cyano substituent.


(S)-NIPECOTIC ACID

The (S)-enantiomer of nipecotic acid.


pyridines

Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.


adenosines

Any purine ribonucleoside that is a derivative of adenosine.


DEXTROBUPIVACAINE

The (R)-(+)-enantiomer of bupivacaine.


ANABASINE

The (S)-enantiomer of anabasine.


pyrimidine deoxyribonucleoside

A deoxyribonucleoside containing a pyrimidine base.


(R)-paliperidone palmitate

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (R)-enantiomer of paliperidone palmitate.


(S)-DOXAPRAM

The (S)-enantiomer of doxapram.


diaminopyridine

Compounds containing a pyridine skeleton substituted by two amino groups.


ropivacaine

The piperidinecarboxamide obtained by the formal condensation of N-propylpipecolic acid and 2,6-dimethylaniline.


A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively.


diazoline

A five-membered organic heteromonocyclic compound containing two nitrogen atoms and a double bond.


aminonicotinic acid

An aromatic amino acid that is nicotinic acid in which one of the hydrogens attached to the pyridine ring is replaced by an amino group. A 'closed class'.


purine ribonucleoside

A ribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration).


(R)-toloxatone

The (R)-enantiomer of toloxatone.


(R)-omeprazole

A 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole that has R configuration at the sulfur atom.


(-)-(R)-efonidipine

A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (R)-configuration. It is a selective blocker of T-type Ca(2+) channels.


aminopyrimidine

A member of the class of  pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives.


pyrimidone

A pyrimidine carrying one or more oxo substituents.


pyrimidines

Any compound having a pyrimidine as part of its structure.


HYDROCHLORTHIAZIDE

An azole in which the five-membered heterocyclic aromatic skeleton contains a N atom and one S atom.


(S)-paliperidone palmitate

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (S)-enantiomer of paliperidone palmitate.


imidazoline

An imidazoline compound having the double bond at the 2-position.


nitrofuran antibiotic

A member of the class of furans in which the furan ring is substituted by a nitro group and which also has significant antibiotic properties.


A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have S configuration. It is the inactive enantiomer in the racemic drug methylphenidate.


fominoben

Any compound containing morpholine as part of its structure.


(R)-nipecotic acid

The (R)-enantiopmer of nipecotic acid.


timolol

1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group. The (S)-(-) enantiomer, also known as timolol, is a beta-adrenergic antagonist and is used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.


chloropyridine

Compounds containing a pyridine nucleus substituted with one or more chlorine atoms.


pyridinemonocarboxylic acid

A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring.


(S)-ICLAPRIM

A 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has S configuration.


furans

Compounds containing at least one furan ring.


(R)-DOXAPRAM

The (R)-enantiomer of doxapram.


(R)-ethosuximide

The (R)-enantiomer of ethosuximide.


pyridoxine

A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid.


hydroxypyridine

Any member of the class of pyridines with at least one hydroxy substituent.


A hydroxypiperidine that has three hydroxy groups located at positions 3, 4 and 5 as well as a hydroxymethyl substituent at position 2.


A pyrrolidinone in which the oxo group is at position 2 of the pyrrolidine ring.


The (5R)-enantiomer of zopiclone.


(S)-toloxatone

The (S)-enantiomer of toloxatone.


(R)-ranolazine

An N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide that is the (R)-enantiomer of ranolazine (the racemate is a drug used for treatment of chronic angina).


A methyl phenyl(piperidin-2-yl)acetate that has S configuration alpha to the carbonyl group and R configuration at the stereocentre bearing the nitrogen.


purines D-ribonucleoside

A purine ribonucleoside that is a purine derivative attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage.


furoic acid

A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof.


diazines

Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure).


prolinols

The class of all compounds which contain a prolinol skeleton.


thiadiazolidine

A organic heteromonocyclic compound that consists of a cylcopentane ring in which two carbon atoms are replaced by a sulfur and nitrogen atom respectively.


(R)-cycrimine

The (R)-enantiomer of cycrimine.


barbiturates

Members of the class of pyrimidones consisting of pyrimidine-2,4,6(1H,3H,5H)-trione (barbituric acid) and its derivatives. Largest group of the synthetic sedative/hypnotics, sharing a characteristic six-membered ring structure.


pyridinedicarboxylic acid

Any member of the class of  pyridines carrying two carboxy groups.


(R)-eliprodil

The R-enantiomer of eliprodil.


(R)-amlodipine

The (4R)-enantiomer of amlodipine.


monochloropyridine

A chloropyridine in which only one chlorine is attached to the pyridine ring.


long-chain fatty acid ethyl ester

A fatty acid ethyl ester resulting from the formal condensation of the carboxy group of a long-chain fatty acid with the hydroxy group of ethanol.


organic oxo compound

Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element.


beta-amino acid

A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group.


polyprenal

Any enal having a polyprenyl chain.


branched-chain fatty acid

Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids.


oxo monocarboxylic acid

Any monocarboxylic acid having at least one additional oxo functional group.


macrolide

A macrocyclic lactone with a ring of twelve or more members derived from a polyketide.


aromatic ketone

A ketone in which the carbonyl group is attached to an aromatic ring.


N-acylglycine

An N-acyl-amino acid in which amino acid specified is glycine.


pyruvate family amino acid

An L-alpha-amino acid which is biosynthesised from pyruvate (i.e. alanine, valine, and leucine). A closed class.


monounsaturated fatty aldehyde

Any fatty aldehyde with one double or triple bond located at any position in the aliphatic chain.


aminobenzoic acid

A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.


acetylenic fatty acid

Any  unsaturated fatty acid containing at least one triple bond in the carbon chain framework.


thioacetate ester

A compound of general formula CH3C(=O)SR where R is an organyl group.


2-methoxyethyl ester

A carboxylic ester resulting from the formal condensation between a carboxylic acid and the hydroxy group of 2-methoxyethanol. In contrast to many other water-solubilising esters, the 2-methoxyethyl esters of many amino acids are crystalline, allowing them to be easily purified.


long-chain fatty acid

A fatty acid with a chain length ranging from C13 to C22.


hydroxy-amino acid

A non-proteinogenic alpha-amino acid bearing one or more hydroxy groups at unspecified positions.


MESOTRIONE

An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.


alpha-bromoketone

A bromoketone in which the bromine and oxo substituents are on adjacent carbon atoms.


proteinogenic amino acid

Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration.


(S)-prasugrel

An 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate that is the (S)-enantiomer of prasugrel (the racemate is a cardiovascular drug).


benzaldehydes

Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof.


enone

An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position.


hydroxycinnamic acid

Any member of the class of  cinnamic acids carrying one or more hydroxy substituents.


A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group.


polyunsaturated fatty acid

Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome.


heterocyclic fatty acid

Any fatty acid containing a ring composed of atoms including at least one heteroatom.


glyceric acid

A trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups.


glutamine

An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.


omega-3 fatty acid

A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid.


fatty acid

Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids.


nitrogen-containing fatty acid

Any fatty acid containing nitrogen as either a substituent or a replacement for a methylene carbon.


2-hydroxydicarboxylic acid

Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.


4-coumaric acid

A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.


(R)-bambuterol

The (R)-enantiomer of bambuterol.


oxo carboxylic acid

Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule.


alpha-diketone

A diketone that has its two ketone functionalities on adjacent atoms.


epoxy fatty acid

A heterocyclic fatty acid containing an epoxide ring as part of its structure.


succinate ester

A carboxylic ester resulting from the esterification of one or both of the carboxy groups of succinic acid. (Succinate ester in which only one of the carboxy groups of succinic acid has been esterified are known as hemisuccinates.)


pivalate ester

A carboxylic ester of pivalic acid.


glutamic acid

An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.


decanoate ester

A fatty acid ester resulting from the formal condensation of the carboxy group of decanoic acid (capric acid) with the hydroxy group of an alcohol or phenol.


aromatic carboxylic acid

Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.


ketone

A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).


haloketone

A ketone containing a halo group.


(S)-ketorolac

A 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid that has S configuration. While (S)-ketorolac is a COX1 and COX2 inhibitor, both enantiomers exhibit analgesic effects. Racemic ketorolac, known simply as ketorolac, is used (mainly as the tromethamine salt) as a potent analgesic for the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis.


octadec-9-enoic acid

An octadecenoic acid with a double bond at C-9.


N-acyl-L-amino acid

Any N-acylamino acid having L-configuration.


(S)-bambuterol

The (S)-enantiomer of bambuterol.


heteroarenecarbaldehyde

An aldehyde in which a formyl group is located on a heteroarene.


4-methylglutamic acid

A glutamic acid derivative that is glutamic acid substituted by a methyl group at position 4.


glutamine family amino acid

An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class.


(R)-bopindolol

A 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate that has R-configuration.


sulfur-containing carboxylic acid

Any carboxylic acid having a sulfur substituent.


polyunsaturated fatty ester

Any fatty acid ester resulting from the formal esterification of the carboxy group of a polyunsaturated fatty acid.


aldehyde

A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.


aldonic acid

Any carbohydrate acid formed by oxidising the aldehyde functional group of an aldose to a carboxylic acid functional group. Aldonic acids have the general formula HOCH2[CH(OH)]nC(=O)OH.


The S stereoisomer of (E)-4-hydroxynon-2-enal.


unsaturated fatty acid

Any fatty acid containing at least one C=C or C#C bond.


oxo dicarboxylic acid

Any dicarboxylic acid carrying one or more oxo groups.


7-oxo steroid

Any oxo steroid carrying an oxo group at position 7.


4-hydroxy monocarboxylic acid

A hydroxy monocarboxylic acid which has a hydroxy group located gamma to the carboxy group.


hydroxypregnenolone

A C21-steroid that is pregnenolone in which a hydrogen attached to a carbon is substituted by a hydroxy group.


naphthoic acid

An aromatic carboxylic acid that consists of a naphthalene skeleton substituted by one or more carboxy groups.


citrulline

The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.


histidine

An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.


N-acylglycine 18:1

An N-acylglycine in which the acyl group contains 18 carbons and 1 double bond.


(S)-esmolol

A methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate that has S configuration. The drug esmolol is a racemate comprising equimolar amounts of (R)- and (S)-esmolol. While the S enantiomer possesses all of the heart rate control, both the R and the S enantiomer contribute to lowering blood pressure.


3-hydroxy monocarboxylic acid

A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group.


20-oxo steroid

An oxo steroid carrying an oxo group at position 20.


lactone

Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.


dopa

A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.


non-proteinogenic alpha-amino acid

Any  alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.


2-oxo monocarboxylic acid

Any monocarboxylic acid having a 2-oxo substituent.


fluoroamino acid

An organofluorine compound that consists of an amino acid substituted by a fluoro group.


cyanoamino acid

A non-proteinogenic amino acid modified by the addition of a cyano group.


bryostatins

Any of the structurally related macrolide compounds originally found in the bryozoan Bugula neritina and related organisms.


carbamate fungicide

Compounds that contain a carbamate ester moiety as a key feature of their structure and which have been used as fungicides.


tricarboxylic acid

An oxoacid containing three carboxy groups.


name: dicarboxylic acids and O-substituted derivatives

description: A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens.


amino aldehyde

Any aldehyde which contains an amino group.


macrocyclic lactone

Any lactone in which the cyclic carboxylic ester group forms a part of a cyclic macromolecule.


secondary alpha-hydroxy ketone

An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups.


delta-lactone

A lactone having a six-membered lactone ring.


docosahexaenoic acid

Any C22 polyunsaturated fatty acid containing six double bonds.


beta-diketone

A diketone in which the two keto groups are separated by a single carbon atom.


(2S)-2-hydroxy monocarboxylic acid

A 2-hydroxy monocarboxylic acid in which the carbon at position 2 has (S)-configuration.


alpha,beta-unsaturated carboxylic ester

A carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) or R(1)C#C-C(=O)OR(2) (R(2) =/= H) in which the ester C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.


benzoate ester

Esters of benzoic acid or substituted benzoic acids.


(R)-methocarbamol

A 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate that has R configuration. Both (R)- and (S)-methocarbamol have muscle relaxant properties, with the (R)-enantiomer being more active than the (S)-enantiomer.


chlorocarboxylic acid

A carboxylic acid containing at least one chloro group.


name: erythrose 4-phosphate/phosphoenolpyruvate family amino acid

description: An L-alpha-amino acid which is biosynthesised from erythrose 4-phosphate and phosphoenolpyruvate (i.e. phenylalanine, tyrosine, and tryptophan). A closed class.


acetate ester

Any carboxylic ester where the carboxylic acid component is acetic acid.


methyl ester

Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol.


2-methylbut-2-enoic acid

A branched-chain fatty acid consisting of 2-butenoic acid having a methyl group at position 2.


aromatic amino acid

An amino acid whose structure includes an aromatic ring.


alpha,beta-unsaturated ketone

A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.


pentacarboxylic acid

An oxoacid containing five carboxy groups.


hydroxy carboxylic acid

Any carboxylic acid with at least one hydroxy group.


4-coumaric acid methyl ester

A cinnamate ester that is the methyl ester of 4-coumaric acid.


carboxylic anhydride

Anhydrides derived from carboxylic acids.


very long-chain fatty acid

A fatty acid which has a chain length greater than C22. Very long-chain fatty acids which have a chain length greater than C27 are also known as ultra-long-chain fatty acids.


anthroic acid

Any aromatic carboxylic acid that is anthracene substituted by a carboxy group at unspecified position.


methyl ketone

A ketone of formula RC(=O)CH3 (R =/= H).


3-hydroxy-L-aspartic acid

A 3-hydroxyaspartic acid that has S configuration at the carbon bearing the amino group.


thia fatty acid

Any fatty acid having at least one of the chain methylene groups replaced by sulfur. Members of this group are believed to have important pharmacological (antioxidant and antiatherosclerosis) properties.


polar amino acid

Any amino acid whose side chain is capable of forming one or more hydrogen bonds.


cyclic dicarboxylic anhydride

An acid anhydride derived by loss of water between two carboxylic groups in the same molecule so as to close a ring.


nitrobenzoic acid

Any member of the class of benzoic acids with at least one nitro substituent attached to the benzene ring.


dodecanoate ester

Any fatty acid ester in which the carboxylic acid component is lauric acid.


monocarboxylic acid

An oxoacid containing a single carboxy group.


trienoic fatty acid

Any polyunsaturated fatty acid that contains three double bonds.


quinic acid

A cyclitol carboxylic acid.


dioxo monocarboxylic acid

Any monocarboxylic acid containing two ketonic or aldehydic oxo groups.


(S)-methcathinone

A 2-methylamino-1-phenylpropan-1-one that has (S)-configuration.


fatty acid 22:6

Any polyunsaturated fatty acid containing 22 carbons and 6 double bonds.


chalcone

A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group.


dicarboxylic acid monoester

A monoester of a dicarboxylic acid.


ORNITHINE aKETOGLUTARATE

An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.


alpha,beta-unsaturated aldehyde

An aldehyde of general formula R(1)R(2)C=CR(3)-CH=O or RC#C-CH=O in which the aldehydic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.


aspartate family amino acid

An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class.


oligomycin

Any of the 26-membered ring macrolides produced by Streptomyces species that can be toxic to other organisms through their ability to inhibit mitochondrial membrane-bound ATP synthases.


diketone

A compound that contains two ketone functionalities.


A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which both chiral centres have R configuration.


epsilon-amino acid

An amino acid in which the amino group is located on the carbon atom at the position epsilon to the carboxy group.


MECOPROP-P

The (S)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the inactive stereoisomer of the racemic herbicide mecoprop.


N-acyl-L-glutamic acid

Any optically active N-acylglutamic acid having L-configuration.


octanoate ester

Any fatty acid ester in which the carboxylic acid component is octanoic acid (caprylic acid).


haloamino acid

Any non-proteinogenic amino acid carrying at least one halo group.


non-proteinogenic amino acid

Any amino-acid that is not naturally encoded in the genetic code of any organism.


C4-dicarboxylic acid

Any dicarboxylic acid that contains four carbon atoms.


quinolinemonocarboxylic acid

Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent.


glycinyl ester

An alpha-amino acid ester in which the amnio acid component is glycine.


A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5.


beta-amino acid ester

An amino acid ester resulting from the formal condensation of the carboxy group of a beta-amino acid with the hydroxy group of an alcohol or phenol.


lysine

A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.


(R)-ketorolac

A 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid that has R configuration. Unlike the S-enantiomer, it does not exhibit COX1 and COX2 inhibition, but does exhibit analgesic activity. Racemic ketorolac, known simply as ketorolac, is used (mainly as a tromethamine salt) as a potent analgesic for the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis.


tert-butyl ester

A carboxylic ester resulting from the formal condensation of a carboxylic acid with tert-butanol.


phenyl acetates

An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of any phenol.


ethyl ester

Any carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol.


oxyketone

A compound with the general formula R2C=O (R=/=H) where one or more of the R groups contains an oxy (-O-) group.


long-chain fatty aldehyde

A fatty aldehyde that has a chain length ranging from C13 to C22.


11-oxo steroid

Any oxo steroid that has an oxo substituent at position 11.


(R)-esmolol

A methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate that has R configuration. The drug esmolol is a racemate comprising equimolar amounts of (R)- and (S)-esmolol. While the S enantiomer possesses all of the heart rate control, both the R and the S enantiomer contribute to lowering blood pressure.


sterol ester

A steroid ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of a sterol.


L-alpha-amino acid

Any alpha-amino acid having L-configuration at the alpha-carbon.


A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond.


alpha-oxyketone

An oxyketone with the general formula R2C(=O) (R=/=H) where one or more of the R groups contains an oxy (-O-) group and the oxy and carbonyl groups are bonded to the same carbon atom.


oxo fatty acid

Any fatty acid containing at least one aldehydic or ketonic group in addition to the carboxylic acid group.


dialdehyde

Any aldehyde with two aldehyde groups.


4-hydroxybenzoate ester

A benzoate ester that is an ester of 4-hydroxybenzoic acid.


3-hydroxy carboxylic acid

Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group.


butanone

Any  ketone that is butane substituted by an oxo group at unspecified position.


hydroperoxy fatty acid

Any fatty acid carrying one or more hydroperoxy substituents.


hydroperoxy polyunsaturated fatty acid

Any polyunsaturated fatty acid carrying one or more hydroperoxy substituents.


thioester

A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'.


fatty acid ethyl ester

A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with ethanol.


tetradecanoate ester

A fatty acid ester obtained by condensation of the carboxy group of tetradecanoic acid (also known as myristic acid) with a hydroxy group of an alcohol or phenol.


isopropyl ester

Any carboxylic ester resulting from the formal condensation of a carboxylic acid with the hydroxy group of propan-2-ol.


N-(fatty acyl)-L-alpha-amino acid

An N-acyl-L-alpha-amino acid resulting from the formal condensation of the carboxy group of any fatty acid with the amino group of any L-amino acid.


AROXYBUTYNIN

A 4-(diethylamino)but-2-yn-1-ol that has R configuration. It is responsible for virtually all of the antimuscarinic activity of (racemic) oxybutynin.


hydroxy monocarboxylic acid

Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent.


benzophenones

Any aromatic ketone in which the carbonyl group is bonded to 2 phenyl groups.


N-acyl-L-alpha-amino acid

Any L-alpha-amino acid carrying an N-acyl substituent.


butyrate ester

Any carboxylic ester where the carboxylic acid component is butyric acid.


tertiary alpha-hydroxy ketone

An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.


alpha-hydroxy ketone

An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety.


arginine

An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.


4-methyl-L-glutamic acid

A 4-methylglutamic acid that has L-configuration.


N-acetyl-L-amino acid

An L-amino acid having an N-acetyl substituent.


d,l-threo-3-HYDROXYASPARTIC ACID

A hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group.


methyl-branched fatty acid

Any branched-chain fatty acid containing methyl branches only.


fatty acid 4:0

Any saturated fatty acid containing 4 carbons.


amino acid ester

Any  carboxylic ester derivative of an amino acid.


urocanic acid

An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.


cinnamic acids

Any alpha,beta-unsaturated monocarboxylic acid based on the cinnamic acid skeleton and its substituted derivatives.


non-proteinogenic L-alpha-amino acid

Any L-alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.


A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.


caffeic acid

A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common.


serine

An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.


coumaric acid

A monohydroxycinnamic acid that is prop-2-enoic acid substituted by a hydroxyphenyl group at position 3.


triketone

A compound that contains three ketone functionalities.


cyclopropanecarboxylate ester

A carboxylic ester resulting from the formal condensation of the hydroxy group of an alcohol or phenol with the carboxy group of cyclopropanecarboxylic acid or its substituted derivatives.


methyl-L-glutamic acid

A non-proteinogenic L-alpha-amino acid that is L-glutamic acid substituted with a methyl group.


benzimidazolecarboxylic acid

A member of the class of  benzimidazoles carrying a carboxy group at unspecified position.


cinnamaldehydes

An  enal based on a cinnamaldehyde skeleton and its substituted derivatives.


fatty aldehyde

An aldehyde formally arising from reduction of the carboxylic acid group of its corresponding fatty acid, having a carbonyl group at one end of the carbon chain.


dihydrochalcones

Any ketone that is 1,3-diphenylpropanone and its derivatives obtained by substitution.


alpha-amino acid ester

The amino acid ester derivative obtained the formal condensation of an alpha-amino acid with an alcohol.


(R)-warfarin

A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (R)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide).


cardiac glycoside

Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.


carboxylic ester

An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.


imidazolyl carboxylic acid

Any member of the class of imidazoles in which the imidazole ring is substituted by one (or more) carboxy group(s).


steroid aldehyde

Any steroid substituted by a formyl group.


FOSFONET

A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.


macrodiolide

A macropolylide which contains two ester linkages in one macrocyclic ring.


A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which both chiral centres have S configuration.


octadecenoic acid

Any member of the group of C18 monounsaturated fatty acids with the double bond located at any position in the chain.


arenecarbaldehyde

Any aldehyde in which the carbonyl group is attached to an aromatic moiety.


propanoate ester

Any carboxylic ester where the carboxylic acid component is  propionic acid.


olefinic fatty acid

Any fatty acid containing at least one C=C double bond.


essential fatty acid

Any member of the sub-set of polyunsaturated fatty acid for which there is an absolute dietary requirement.


A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group.


fatty acid 20:4

Any polyunsaturated fatty acid containing 20 carbons and 4 double bonds.


4-hydroxy carboxylic acid

Any hydroxy carboxylic acid which contains a hydroxy substituent gamma to a carboxy group.


naphthyl ketone

An aromatic ketone in which the keto unit is bound to at least one naphthyl group.


nitro fatty acid

Any nitrogen-containing fatty acid that is fatty acid containing at least one nitro group.


dicarboxylic acid

Any carboxylic acid containing two carboxy groups.


(S)-acenocoumarol

The (R)-enantiomer of acenocoumarol.


beta-triketone

A triketone in which the each ketone functionality is located beta- to the other two.


heptanoate ester

Any fatty acid ester where the carboxylic acid component is heptanoic (also known as enanthic) acid.


epoxy monocarboxylic acid

Monocarboxylic acids containing at least one epoxy group.


N-acetyl-amino acid

An N-acyl-amino acid that has acetyl as the acyl group.


macrolide lactam

A macrolide in which the macrocyclic lactone ring includes an amide group.


N-acyl-amino acid

A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid.


(R)-mecoprop

The (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop.


indole-3-acetic acids

An  indol-3-yl carboxylic acid in which the carboxylic acid specified is acetic acid.


gamma-amino acid

A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group.


alpha-amino acid

An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group.


An enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position.


(S)-methocarbamol

A 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate that has S configuration.  Both (R)- and (S)-methocarbamol have muscle relaxant properties, with the (R)-enantiomer being more active than the (S)-enantiomer.


hydroxybenzophenone

Any benzophenone into which is substituted one or more hydroxy groups.


macrolide antibiotic

A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity.


omega-6 fatty acid

A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid.


A deuterated compound that is is an isotopologue of glycine in which all five hydrogen atoms have been replaced by deuterium.


alkyl caffeate ester

A cinnamate ester obtained by formal condensation of caffeic acid with any alkyl alcohol.


chalcones

A ketone that is 1,3-diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar, and its derivatives formed by substitution.


cyclic fatty acid

Any fatty acid containing anywhere in its structure a ring of atoms.


carboxybiphenyl

Any member of the class of biphenyls that has one or more carboxy groups attached to the biphenyl skeleton.


ynone

An alpha,beta-unsaturated ketone of general formula R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the aldehydic C=O function is conjugated to a C#C triple bond at the alpha,beta position.


acetophenones

A class or aromatic ketone consisting of acetophenone, PhC(=O)CH3, and its substituted derivatives.


short-chain fatty acid

An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid.


hydroxytryptophan

A hydroxy-amino acid that is tryptophan substituted by at least one hydroxy group at unspecified position.


monounsaturated fatty acid

Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment.


chlorobenzoic acid

Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group.


ketone body

A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides.


A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which the stereocentres beta- and delta- to the carboxy group have S and R configuration, respectively. The drug fluvastatin is an equimolar mixture of this compound and its enantiomer.


lactic acid

A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.


erythromycin

Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).


enoate ester

An alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.


medium-chain fatty acid

Any fatty acid with a chain length of between C6 and C12.


A member of the class of chalcones that is trans-chalcone hydroxylated at C-2' and C-4.


beta-hydroxy ketone

A ketone containing a hydroxy group on the beta-carbon relative to the C=O group.


primary alpha-hydroxy ketone

An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group.


carbonyl compound

Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.


enal

An alpha,beta-unsaturated aldehyde of general formula R(1)R(2)C=CR(3)-CH=O in which the aldehydic C=O function is conjugated to a C=C double bond at the alpha,beta position.


bromoketone

A ketone containing a bromo substituent.


The R stereoisomer of (E)-4-hydroxynon-2-enal.


fatty acid 18:3

Any trienoic fatty acid containing 18 carbons.


fatty acid ester

A carboxylic ester in which the carboxylic acid component can be any fatty acid.


octadecanoid

Unsaturated C18 fatty acids and skeletally related compounds.


dihydroxybenzaldehyde

Any member of the class of benzaldehydes in which the phenyl ring is substituted by two hydroxy groups.


roxithromycin

Semisynthetic derivative of erythromycin A.


carboxylic acid

A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.


benzoic acids

Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.


(S)-warfarin

A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (S)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide).


alpha-haloketone

A haloketone in which the halogen and oxo substituents are on adjacent carbon atoms.


ketoaldonic acid

Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group.


hydroperoxy unsaturated fatty acid

Any unsaturated fatty acid carrying one or more hydroperoxy substituents.


benzimidazolylcarbamate fungicide

Any carbamate fungicide that contains a benzimidazolyl group attached to the nitrogen of the carbamate moiety.


macropolylide

Macrolides (macrocyclic lactones) in which the macrocyclic ring contains more than one ester linkage. Macropolylides include macrodiolides, macrotriolides, macrotetrolides and macropentolides, each containing di-, tri-, tetra-, and penta- ester linkages, respectively, in one macrocyclic ring. Macrocyclic lactones containing nitrogen in their skeletons (azamacrolides and macrolide lactams) and also containing oxazole or thiazole in their skeletons are known in nature.


serine family amino acid

An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class.


An enal consisting of pent-2-ene having an oxo group at the 1-position


indol-3-yl carboxylic acid

Any indolyl carboxylic acid carrying an indol-3-yl or substituted indol-3-yl group.


(R)-prasugrel

An 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate that is the (R)-enantiomer of prasugrel (the racemate is a cardiovascular drug).


aliphatic aldehyde

An aldehyde derived from an aliphatic compound


dihydroxy monocarboxylic acid

Any  hydroxy monocarboxylic acid carrying at least two hydroxy groups.


methoxybenzoic acid

Any benzoic acid carrying one or more methoxy substituents.


chlorine molecular entity

A halogen molecular entity containing one or more atoms of chlorine.


trichlorobenzene

Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.


A member of the class of indoles that is 6-chloro-5-fluoroindole in which the hydrogen attached to the nitrogen has been replaced by a 2-aminopropyl group.


chlorohydrocarbon

A compound derived from a hydrocarbon by replacing at least one hydrogen atom with a chlorine atom.


monochlorobenzenes

Any member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine.


organochlorine acaricide

Any organochlorine pesticide that has been used as an acaricide.


(S)-bromazine hydrochloride

The hydrochloride salt of (S)-bromazine.


organochlorine pesticide

Any organochlorine compound that has been used as a pesticide.


chloroalkene

A compound derived from an alkene by replacing a hydrogen atom with a chlorine atom.


chloride

A halide anion formed when chlorine picks up an electron to form an an anion.


chlorobiphenyl

A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups.


chlorinated steroid

A steroid which is substituted with one or more chlorine atoms in any position.


organochlorine compound

An organochlorine compound is a compound containing at least one carbon-chlorine bond.


(S)-azelastine

The (S)-enantiomer of azelastine.


anthocyanidin chloride

An organic chloride salt of any anthocyanidin.


cyclodiene organochlorine insecticide

A sub-category of organochlorine insecticides, the members of which are all derived from hexachlorocyclopentadiene. They possess a structure based on two 3-dimensional carbon ring units, one of which is heavily chlorinated.


tetrachlorobiphenyl

Any polychlorobiphenyl with molecular formula C12H6Cl4.


chloroolefin

A chlorohydrocarbon carrying one or more chloro groups at unspecified positions.


pentachlorobiphenyl

Any polychlorobiphenyl with molecular formula C12H5Cl5.


(R)-azelastine

The (R)-enantiomer of azelastine.


organochlorine insecticide

Any organochlorine pesticide that has been used as an insecticide.


chloroarene

A compound derived from an arene by replacing a hydrogen atom with a chlorine atom.


polychlorobiphenyl

A biphenyl compound containing between 2 and 10 chlorine atoms attached to the two benzene rings.


hydrochloride

A salt formally resulting from the reaction of hydrochloric acid with an organic base.


chlorobenzenes

Any organochlorine compound containing a benzene ring which is substituted by one or more chlorines.


monosaccharide derivative

A carbohydrate derivative that is formally obtained from a monosaccharide.


A  monosaccharide derivative that is 4'-O-methylrobinetinidol attached to a beta-D-glucopyranosyl residue at position 3'. Isolated from Acacia mearnsii, it  exhibits inhibitory activity against alpha-amylase.


sialic acid

Any of the N-acylneuraminic acids and their esters and other derivatives of the alcoholic hydroxy groups.


aldohexose derivative

An aldose derivative that is formally obtained from an aldohexose.


hexose derivative

A monosaccharide derivative that is formally obtained from a hexose.


aldose derivative

A monosaccharide derivative that is formally obtained from an aldose.


ketoaldonic acid derivative

A monosaccharide derivative that is formally obtained from a ketoaldonic acid.


D-hexose derivative

A hexose derivative that has D-configuration.


D-aldohexose derivative

An aldohexose derivative that has D-configuration.


pentose derivative

A monosaccharide derivative that is formally obtained from a pentose.


ketohexose derivative

A hexose derivative that is formally obtained from a ketohexose.


corticosteroid hormone

Any of a class of steroid hormones that are produced in the adrenal cortex.


mineralocorticoid

Mineralocorticoids are a class of steroid hormones that regulate water and electrolyte metabolism.


glucocorticoid

Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood.


leucine derivative

An amino acid derivative resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of leucine by a heteroatom. The definition normally excludes peptides containing leucine residues.


L-leucine derivative

A proteinogenic amino acid derivative resulting from reaction of L-leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-leucine by a heteroatom.


D-leucine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-leucine by a heteroatom.


name: malignant hyperthermia, susceptibility to, 6


name: malignant hyperthermia, susceptibility to

description: An inherited susceptibility or predisposition to developing malignant hyperthermia.


name: malignant hyperthermia, susceptibility to, 2


name: malignant hyperthermia, susceptibility to, 4


name: malignant hyperthermia, susceptibility to, 3


organoarsonic acid

Any organoarsenic compound that is the As-organyl derivative of arsonic acid.


arsonic acids

Arsonic acid and its As-hydrocarbyl derivatives.


name: autosomal dominant mendelian susceptibility to mycobacterial diseases due to partial IFNgammaR2 deficiency

description: A genetic variant of mendelian susceptibility to mycobacterial diseases characterized by a partial deficiency in IFN-gammaR2, leading to impaired response to IFN-gamma and, consequently, to recurrent, moderately severe infections with bacillus Calmette-Guerin (BCG) and other environmental mycobacteria (EM).


anthocyanidin

Any  flavonoid that is a salt containing flavylium ion or 2-phenylchromenylium skeleton and its substituted derivatives together with an appropriate counterion.  Aglycons of anthocyanins, they form a part of the large group of planr pigments.


nitrile

A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.


(S)-BICALUTAMIDE

A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide.


aliphatic nitrile

Any nitrile derived from an aliphatic compound.


(S,R)-labetolol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1S,2R-configuration.


salicylamide

The simplest member of the class of salicylamides derived from salicylic acid.


dilevalol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2R-configuration.


(R,S)-labetolol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2S-configuration.


salicylanilides

The compound salicylanilide and its derivatives.


(S,S)-labetalol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1S,2S-configuration.


(R)-proglumide

The (R)-enantiomer of the racemic drug proglumide.


indolocarbazole

Compounds based upon an indolo[2,3-a]carbazole skeleton.


3-hydroxy steroid

Any hydroxy steroid carrying a hydroxy group at position 3.


3alpha-hydroxy steroid

A 3-hydroxy steroid in which the 3-hydroxy substituent is in the alpha-position.


phytosterols

Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.


stigmastane sterol

Any sterol based on a stigmastane skeleton.


sterol

Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain).


Any 3beta-hydroxy-steroid that contains a double bond between positions 5 and 6.


estradiol

A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17.


3beta-hydroxy steroid

A 3-hydroxy steroid in which the 3-hydroxy substituent is in the  beta-position.


A sterol in which the hydroxy group at position 3 has beta- configuration.


oxysterol

An oxygenated derivative of cholesterol


anabolic androgenic steroid

A steroid hormone related to the hormone testosterone. It increases protein synthesis within cells, which results in the buildup of cellular tissue (anabolism), especially in muscles. It also has androgenic and virilizing properties.


name: coronary heart disease, susceptibility to, 1

description: Any coronary artery disease in which the cause of the disease is a mutation in the CX3CR1 gene.


macromolecule

A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass.


keratan sulfate

A sulfated glycosaminoglycan, a linear polymer that consists of the repeating disaccharide  [3)-beta-Gal-(1->4)-beta-GlcNAc-(1->] and containing sulfo groups located at random positions.


glycosaminoglycan

Any polysaccharide containing a substantial proportion of aminomonosaccharide residues.


polysaccharide derivative

A carbohydrate derivative that is any derivative of a polysaccharide.


keratan 6'-sulfate

A keratan sulfate with random sulfation at the 6'-position.


biomacromolecule

A macromolecule formed by a living organism.


mucopolysaccharide

Any of the group of polysaccharides composed of alternating units from uronic acids and glycosamines, and commonly partially esterified with sulfuric acid.


O-acyl carbohydrate

A carbohydrate derivative in which the hydrogen atom of at least one alcoholic hydroxy group of a carbohydrate has been replaced by an acyl substituent.


imidazopyridazine

An organic heterobicyclic compound that consists of an imidazole ring ortho-fused to a pyridazine ring.


(S)-fluoxetine

An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine].


name: migraine with or without aura, susceptibility to, 8


name: predisposition to severe viral infection due to IRF7 deficiency


hydrate

An addition compound that contains water in weak chemical combination with another compound.


rotenoid

Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.


monocarboxylic acid amide

A carboxamide derived from a monocarboxylic acid.


An N-acylethanolamine resulting from the formal condensation of the carboxy group of any polyunsaturated fatty acid with the amino group of ethanolamine.


(S)-MODAFINIL

A 2-[(diphenylmethyl)sulfinyl]acetamide that has S configuration at the sulfur atom. The racemate comprising (S)-modafinil and its enantiomer, armodafinil, is known as modafinil and is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The enantiomers have similar pharmacological actions in animals.


N-(fatty acyl)-ethanolamine

an N-acyl-ethanolamine where the acyl group is a fatty acyl chain with composition not specified, major species at pH 7.3.


fatty amide

A monocarboxylic acid amide derived from a fatty acid.


N-(fatty acyl)-dopamine

A fatty acid conjugated to dopamine


(R)-atenolol

The (R)-enantiomer of atenolol.


N-(long-chain-acyl)ethanolamine

Any N-acylethanolamine in which the acyl group has a chain length of C12 or greater.


dacarbazine

A monocarboxylic acid amide that is 1H-imidazole-4-carboxamide which is substituted at position 5 by a 3,3-dimethyltriaz-1-en-1-yl group. It is used for the treatment of metastatic malignant melanoma, and in combination with other drugs for the treatment of Hodgkin's disease and soft-tissue sarcoma.


naphthalenecarboxamide

Any member of the class of naphthalenes in which the naphthalene ring is directly attached to the carbonyl carbon of a carboxamide group.


N-acylethanolamine 20:4

A N-(long-chain-acyl)ethanolamine in which the acyl group contains 20 carbons and 4 double bonds.


N-acylethanolamine 18:2

A N-(long-chain-acyl)ethanolamine in which the acyl group contains 18 carbons and 2 double bonds.


N-acylethanolamine 22:4

A N-(long-chain-acyl)ethanolamine in which the acyl group contains 22 carbons and 4 double bonds.


primary fatty amide

A primary carboxamide RC(=O)NH2 resultng from the formal condensation of the carboxy group of a fatty acid with ammonia.


N-acylethanolamine 20:3

A N-(long-chain-acyl)ethanolamine in which the acyl group contains 20 carbons and 3 double bonds.


N-(saturated fatty acyl)ethanolamine

Any N-acylethanolamine in which the acyl group is derived from a saturated fatty acid.


arenecarboxamide

A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system.


esatenolol

The (S)-enantiomer of atenolol.


naphthols

Any hydroxynaphthalene derivative that has a single hydroxy substituent.


primary carboxamide

A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2.


name: autoimmune disease, susceptibility to, 4


monohydroxyquinoline

A hydroxyquinoline carrying a single hydroxy substituent.


primary amino compound

A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group.


An aminoalcohol that is benzene substituted by a 3-amino-3-(hydroxymethyl)-4-methoxybutyl group at position 1 and an octyl group at position 4.


17beta-hydroxy steroid

A 17-hydroxy steroid in which the hydroxy group at position 17 has a beta-configuration.


catechols

Any compound containing an o-diphenol component.


methylcatechol

Any member of the class of catechols carrying one or more methyl substituents.


tertiary amino compound

A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.


(S,S)-tramadol

A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have S-configuration; the (S,S)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold lower analgesic potency than the (R,R)-enantiomer.


name: Parkinson disease 24, autosomal dominant, susceptibility to


name: epilepsy, idiopathic generalized, susceptibility to, 16


volatile organic compound

Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.


fenfluramine

A  secondary amino compound that is 1-phenyl-propan-2-amine in which one of the meta-hydrogens is substituted by trifluoromethyl, and one of the hydrogens attached to the nitrogen is substituted by an ethyl group. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine was used as the hydrochloride for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension.


quaternary ammonium salt

Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.


(2S,3R)-glycopyrronium bromide

A glycopyrronium bromide that has (2S,3R)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease.


(2R,3S)-glycopyrronium bromide

A glycopyrronium bromide that has (2R,3S)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease.


monomethoxybenzene

Compounds containing a benzene skeleton substituted with one methoxy group.


A catechin that is (-)-epicatechin in which the hydroxy group at position 4' is replaced by a methoxy group. It is a metabolite of (-)-epicatechin.


guaiacols

Any phenol carrying an additional methoxy substituent at the ortho-position.


(+)-catechin-3'-methyl ether

A member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3' has been replaced by a methoxy group. It is a metabolite of (+)-catechin, a major polyphenol found in several fruits and vegetables.


steroid saponin

Any saponin derived from a hydroxysteroid.


sterol 3-beta-D-glucoside

Any beta-D-glucoside derived from a sterol.


spirostanyl glycoside

Any steroid saponin that consists of a spirostan and its substituted derivatives  as the aglycone moiety.


butanediols

A diol that is a butanediol or a derivative of a butanediol.


bisbenzylisoquinoline alkaloid

A type of benzylisoquinoline alkaloid whose structures are built up of two benzylisoquinoline units linked by ether bridges. Various structural patterns resulting from additional bridging between the two units by direct carbon-carbon bridging or by methylenedioxy groups are common.


name: attention deficit-hyperactivity disorder, susceptibility to, 3


sulfur-37 atom

The radioactive isotope of sulfur with relative atomic mass 36.9711257 and  half-life of 5.05 min.


extended flavonoid

Any flavonoid with one or more rings fused on to the phenyl substituted benzopyran  framework.


Any aminopurine that has amino substituents at positions 2 and 6, and their substituted derivatives.


polyatomic anion

An anion consisting of more than one atom.


nitrate

A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3.


oxoanion

An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen.


thiochromane

Any organic heterobicyclic compound consisting of a benzene ring fused to a thiopyran.


dibenzopyran

Any organic heteropolycyclic compound based on a skeleton consisting of a pyran ring fused with two benzene rings.


benzimidazole fungicide

Compounds that contain a benzimidazole moiety as a key feature of their structure and which have been used as fungicides.


naphthalenes

Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings.


adamantanes

Compounds containing an adamantane skeleton.


naphthalenediols

Any hydroxynaphthalene derivative that has two hydroxy substituents.


hydroxyflavan

A member of the class of flavans in which one or more ring hydrogens are replaced by hydroxy groups.


pyrimidotriazine

Any organic heterobicyclic compound containing ortho-fused pyrimidine and triazine rings.


isoquinolines

A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives.


sapogenin

Any organic polycyclic compound that is the aglycon moiety of a saponin; sapogenins may be steroids or triterpenoids.


androstanoid

Any steroid based on an  androstane skeleton and its derivatives.


folic acids

A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units.


1,5-naphthyridine derivative

Any naphthyridine derivative that is a derivative of 1,5-naphthyridine.


indoles

Any compound containing an indole skeleton.


An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.


physalin

Any seco-steroid based on a 13,14-seco-16,24-cycloergostane skeleton and its substituted derivatives thereof. These phytochemicals form the major steroidal constituents of Physalis plants and exhibit antimicrobial and antiparasitic activity.


FISETINIDOL

A tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 7, 3' and 4'.


benzodioxine

Any organic heterobicyclic compound containing ortho-fused benzene and dioxine rings.


17alpha-hydroxy steroid

The alpha-stereoisomer of 17-hydroxy steroid.


phenanthrenes

Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.


A steroid compound with a structure based on a 19-carbon (androstane) skeleton.


A steroid that has a structure based on a 21-carbon (pregnane) skeleton. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure.


(R,S,S,S)-nebivolol

A 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1S,1'S,2R,2'S)-configuration.


Any aminopurine having the amino substituent at the 2-position.


ortho- and peri-fused compound

A polycyclic compound in which one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms.


EHNA

A purine derivative having an adenine skeleton substituted at N-9 with a erythro-2-hydroxynonan-3-yl group; relative configuration.


(S)-talarozole

An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (S)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne.


anthracenes

Compounds containing an anthracene skeleton.


(+)-EPICATECHIN

A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).


gallocatechin

A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from  Acacia mearnsii.


pyranopyrazole

An organic heterobicyclic compound whose skeleton consists of a pyran ring which is ortho-fused to a pyrazole ring.


R-epinastine

An epinastine that has R configuration at the chiral centre.


flavonolignan

Any lignan condensed with a 2-aryl-1-benzopyran skeleton and its substituted derivatives.


spiroketal

A cyclic ketal in which the ketal carbon is the only common atom of two rings.


benzisoxazole

Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton.


ortho-fused heteroarene

An ortho-fused compound in which at least one of the rings contains at least one heteroatom.


alkyloxynaphthalene

Naphthalenes in which one or more alkyloxy groups are bonded to a naphthalene ring system.


5beta steroid

Any steroid that has beta-configuration at position 5.


Any C21-steroid carrying a hydroxy substituent at the 17alpha-position. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure.


phthalimides

A dicarboximide that is phthalimide or derivatives obtained from it by the formal replacement of one or more hydrogens.


benzoxaborole

Any organic heterobicyclic compound that consists of an oxoborole ring that is ortho-fused to a benzene ring.


S-epinastine

An epinastine that has S configuration at the chiral centre.


N-acylindole

A carboxamide resulting from the formal condensation of a carboxylic acid with the nitrogen of an indole.


azatetracycloalkane

Any organic heterotetracyclic compound where at least one of the specified hetero atoms is nitrogen.


thienopyrimidine

A class of aromatic heterobicyclic compounds each of which contains a pyrimidine ring ortho fused to a 5-membered thiophene ring.


spiro-epoxide

An oxaspiro compound in which a carbon atom of an epoxide ring is the only common member of two rings.


steroid hormone

Any steroid that acts as hormone.


fused compound

A polycyclic compound that contains more than one ring with at least two common atoms (also known as bridgehead carbons) that are adjacent to each other.


fluorinated steroid

A steroid which is substituted with one or more fluorine atoms in any position.


hydroxycoumarin

Any coumarin carrying at least one hydroxy substituent.


carbapenems

The class of beta-lactam antibiotics that whose members have a carbapenem skeleton which is variously substituted at positions 3, 4, and 6.


corticosteroid

A natural or synthetic analogue of the hormones secreted by the adrenal gland.


cholestanoid

Any steroid based on a cholestane skeleton and its derivatives.


maackiain

A member of the class of ptercoarpans that is cis-pterocarpan  substituted by a hydroxy group at position 3 and a methylenedioxy group across positions 8 and 9.


isobenzofuranone

A 2-benzofuran containing one or more oxo groups.


7alpha-hydroxy steroid

A 7-hydroxy steroid in which the hydroxy group at position 7 has an alpha-configuration.


Any compound having 6-aminopurine (adenine) as part of its structure.


1,8-naphthyridine derivative

Any naphthyridine derivative that is a derivative of 1,8-naphthyridine.


pterocarpans

Members of the class of benzofurochromene with a 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They generally bear structural resemblance to isoflavanoids that possess antibiotic activity and are produced by plant tissues in response to infection. They are the 3,4-dihydroderivatives of coumestans.


pyrrolotriazine

Any organic heterobicyclic compound containing ortho-fused pyrrolidine and triazine rings.


epoxy steroid

Any steroid whose structure includes an epoxy group.


aza-steroid

An aza-steroid is a steroid where in the carbon skeleton a carbon atom is replaced by nitrogen.


hydroxynaphthalene

Any member of the class of  naphthalenes that is naphthalene carrying one or more hydroxy groups.


benzophenanthridine alkaloid

A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family.


coumestans

Members of the class of benzofurochromene with a 6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They are the 3,4-didehydroderivatives of pterocarpans.


tetracyclic antidepressant

An antidepressant whose molecular structure consists of four ring-like structures in a T-shape.


ortho-fused compound

A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms.


pyridopyrimidine

Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring.


Compounds based on a fused 1,3-oxazole and benzene bicyclic ring skeleton.


steroid

Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene which is a triterpene.


spiro compound

A compound having one atom as the only common member of two rings.


pyrazolotriazine

Any organic heterobicyclic compound where the triazine ring is ortho-fused to a pyrazole ring.


14beta-hydroxy steroid

A 14-hydroxy steroid in which the hydroxy group has a beta-configuration.


7-hydroxy steroid

A hydroxy steroid carrying a hydroxy substituent at position 7.


benzimidazoles

An organic heterocyclic compound containing a benzene ring fused to an imidazole ring.


benzazepine

A group of two-ring heterocyclic compounds consisting of a benzene ring fused to an azepine ring.


(S)-dyphylline

The (S)-enantiomer of dyphylline.


stigmastane derivative

Any steroid (or derivative) based on a stigmastane skeleton.


A ring assembly that consists of robinetinidol attached to a gallocatechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.


flavonoid oligomer

A phenylpropanoid obtained by the coupling of two or more units of aryl-substituted benzopyran units and their substituted derivatives.


RACEMETHORPHAN

An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11.


benzodiazepine

A group of heterocyclic compounds with a core structure containing a benzene ring fused to a diazepine ring.


hexahydronaphthalenes

Any carbobycyclic compound that is an hexahydronaphthalene or a compound obtained from an hexahydronaphthalene by formal substitution of one or more hydrogens.


azaspiro compound

An azaspiro compound is a spiro compound in which at least one of the cyclic components is a nitrogen heterocyle.


hydroxyflavonoid

Any flavonoid in which one or more ring hydrogens are replaced by hydroxy groups.


pyrimidopyrimidine

An organic heterobicyclic compound with a skeleton consisting of two pyrimidine rings that are ortho-fused to each other at any position.


naphthyridine derivative

Any organonitrogen heterocyclic compound that is a derivative of a naphthyridine.


(-)-GALLOCATECHIN

A a gallocatechin that has (2S,3R)-configuration.


naphthochromene

An organic heterotetracyclic compound resulting from the formal fusion of a naphthalene with a chromene.


indolobenzazepine

An organic heterotetracyclic compound that consists of an indole moiety ortho-fused to any benzazepine.


A ring assembly that consists of robinetinidol attached to a (+)-catechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.


26-hydroxy steroid

Any hydroxy steroid in which a hydroxy group is located at position 26.


An organic heterotetracyclic compound that is 2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole carrying a cyclohexyl substituent at position 8.


biflavonoid

A flavonoid oligomer that is obtained by the oxidative coupling of at least two units of aryl-substituted benzopyran rings or its substituted derivatives, resulting in the two ring systems being joined together by a single atom or bond.


Tryptamine and its substitution derivatives.


EPIAFZELECHIN (2R,3R)(-)

A catechin derivative having (2R,3R)-configuration.


aminocoumarin

Any coumarin carrying at least one amino substituent.


oxaspiro compound

A spiro compound in which at least one of the cyclic components is an oxygen heterocyle.


afzelechin

A tetrahydroxyflavan that is  (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively.


thienopyridine

Any organic heterobicyclic compound whose skeleton results from the formal ortho-fusion of any bond of a pyridine with any bond of a thiophene.


7beta-hydroxy steroid

A 7-hydroxy steroid in which the hydroxy group at position 7 has beta-configuration.


aminopurine

Any purine having at least one amino substituent.


carbobicyclic compound

A bicyclic compound in which all the ring atoms are carbon.


steroid acid

Any steroid substituted by at least one carboxy group.


oxa-steroid

A steroid where in the carbon skeleton a carbon atom is replaced by oxygen.


furopyridine

An organic heterobicyclic compound whose skeleton consists of a furan ring ortho-fused to a pyridine ring.


carbotricyclic compound

A carbopolyclic compound comprising of three carbocyclic rings.


pyrimidopyridazine

Any organic heterobicyclic compound containing ortho-fused pyrimidine and pyridazine rings.


chromones

A chromenone that consists of a 1,4-benzopyrone skeleton and its substituted derivatives thereof.


dihydronaphthalenes

Any carbobycyclic compound that is a dihydronaphthalene or a compound obtained from a dihydronaphthalene by formal substitution of one or more hydrogens.


carbopolycyclic compound

A polyclic compound in which all of the ring members are carbon atoms.


indoloquinoline

An organic heterotetracyclic compound that is any indole fused to a quinoline ring.


bridged compound

A polycyclic compound that contains more than one ring with at least two common atoms (also known as bridgehead carbons) that are not adjacent to each other.


polycyclic arene

A polycyclic aromatic hydrocarbon.


11beta-hydroxy steroid

Any 11-hydroxy steroid in which the hydroxy group at position 11 has beta- configuration.


thiopyranopyrimidine

Any organic heterobicyclic compound containing ortho-fused thiopyran and pyrimidine rings.


chromenochromene

Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives.


tetrahydrochromenochromene

Any chromenochromene resulting from the formal cis-fusion of two dihydro chromene rings, together with their substituted derivatives.


(S,R,R,R)-nebivolol

A 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1R,1'R,2R,2'S)-configuration.


oxatetracycloalkane

Any organic heterotetracyclic compound where at least one of the specified hetero atoms is oxygen.


furopyridazine

Any organic heterobicyclic compound containing ortho-fused furan and pyridazine rings.


flavans

Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives.


methoxynaphthalene

Any alkyloxynaphthalene bearing one or more methoxy substituents.


C21-steroid hormone

A steroid compound with a structure based on a 21-carbon (pregnane) skeleton that acts as a hormone.


neoflavonoid

Any 1-benzopyran with an aryl substituent at position 4. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.


(-)-CATECHIN

The (-)-enantiomer of catechin.


17-hydroxy steroid

A hydroxy steroid carrying a hydroxy group at position 17.


A ring assembly that consists of  fisetinidol attached to a (+)-catechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.


Any member of the class of coumarins that contains a 7-amino-2H-chromen-2-one skeleton.


benzofurochromene

An organic heteropolycyclic compound whose skeleton consists of a chromene ring fused onto a 1-benzofuran ring, together with their substituted derivatives.


anthrapyrazole

Any organic heterotetracyclic compound consisting of a pyrazole ring ortho-fused to an anthracene.


heteropolycyclic compound

A polycyclic compound in which at least one of the rings contains at least one non-carbon atom.


methylindole

Any member of the class of indoles carrying one or more methyl substituents.


xanthene dye

A dye derived by condensation of phthalic anhydride with resorcinol (and derivatives) or m-aminophenol (and derivatives).


purines

A class of imidazopyrimidines that consists of purine and its substituted derivatives.


(R)-dyphylline

The (R)-enantiomer of dyphylline.


oxindoles

Any member of the class of indolones whose structure is based on an oxindole (2-indolone) skeleton.


20-hydroxy steroid

Any hydroxy steroid that in which the steroid skeleton contains a hydroxy substituent at position 20.


chromenol

Any chromene carrying one or more hydroxy substituents.


name: 3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether


Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton, with the O atom positioned adjacent to one of the positions of ring fusion.


6beta-hydroxy steroid

Any 6-hydroxy steroid in which the 6-hydroxy substituent has beta-configuration.


16-hydroxy steroid

Any hydroxy steroid carrying a hydroxy group at position 16.


tetralins

Compounds containing a tetralin skeleton.


epigallocatechin

A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.


cephalosporin

A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring.  Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy.


name: (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide


furopyran

Any organic heterobicyclic compound containing ortho-fused furan and pyran rings.


benzoselenazole

An organic heterobicyclic compound whose skeleton consists of a benzene ring which is ortho-fused to a selenzole ring.


A benzothiazole consisting of a benzene ring fused to an isothiazole.


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anthracycline antibiotic

An organic compound that has a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine and which exhibits antibiotic activity.


aspartic acid derivative

An amino acid derivative resulting from reaction of aspartic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of aspartic acid by a heteroatom. The definition normally excludes peptides containing aspartic acid residues.


D-aspartic acid derivative

A non-proteinogenic amino acid derivative resulting from the formal reaction of D-aspartic acid at the amino group or either carboxy group, or from the replacement of any hydrogen of D-aspartic acid by a heteroatom.


L-aspartic acid derivative

A proteinogenic amino acid derivative resulting from reaction of L-aspartic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-aspartic acid by a heteroatom.


organic heterocyclic compound

A cyclic compound having as ring members atoms of carbon and at least of one other element.


delta-lactam

A lactam in which the amide bond is contained within a six-membered ring, which includes the amide nitrogen and the carbonyl carbon.


aminoquinoline

Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups.


bipyridines

Compounds containing a bipyridine group.


benzocycloheptathiophene

benzocycloheptathiophenes


quinolines

A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring.


salinosporamide

Family of cytotoxic secondary metabolites produced by the marine actinomycete Salinispora tropica.


biphenylyltetrazole

A member of the class of biphenyls that consists of a biphenyl ring system substituted by a tetrazole ring at an unspecified position.


triazoles

An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.


An N-glycosyl compound that consists of any triazole having a glycosyl residue attached at position 1.


polypyrrole

A compound composed of two or more pyrrole units.


morphinane-like compound

Any organonitrogen heterocyclic compound based on a morphinan skeleton. These are synthetic or semi-synthetic compounds that resemble the  morphinane (opioid) alkaloids in their pharmacological effects.


tetrapyrrole

A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.


beta-lactam antibiotic

An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring.


azole

Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.


fluoroquinolone antibiotic

An organonitrogen heterocyclic antibiotic containing a quinolone (or quinolone-like) moiety and which have a fluorine atom attached to the central ring system.


(S)-bendroflumethiazide

The (S)-enantiomer of bendroflumethiazide.


nucleobase-containing molecular entity

Any compound that has a nucleobase as a part.


azaphilone

Any member of a family of natural products which contains a 6H-isochromene-6,8(7H)-dione or an isoquinoline-6,8(2H,7H)-dione skeleton and its substituted derivatives thereof.


conazole fungicide

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


triazole fungicide

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


triazole antifungal drug

Any triazole antifungal agent that has been used for the treatment of fungal infections in humans or animals.


tetrazoles

An azole in which the five-membered heterocyclic aromatic skeleton contains four N atoms and one C atom.


oxazole

An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.


triazole antifungal agent

A member of the class of triazole that has significant antifungal properties.


(S)-bifonazole

A 1-[biphenyl-4-yl(phenyl)methyl]imidazole that is the S-enantiomer of bifonazole.


syrbactin

A class of azamacrocyclic natural products with a 2,7-dioxo-1,6-diazacyclododecane skeleton that includes the syringolin, glidobactin and cepafungin natural product families. In addition to their related molecular frameworks, members of the class share similar biosynthesis pathways and identical modes-of-action, being irreversible proteasome inhibitor that inhibit all three activities of eukaryotic proteasomes.


crown compound

A macrocyclic polydentate compound, usually uncharged, in which three or more coordinating ring atoms are or may become suitably close for easy formation of chelate complexes with metal ions or other cationic species.


(R)-bendroflumethiazide

The (R)-enantiomer of bendroflumethiazide.


beta-lactam

A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.


cyclic acetal

An acetal in the molecule of which the acetal carbon and one or both oxygen atoms thereon are members of a ring.


cyclic hydroxamic acid

A lactam having a hydroxy substituent on the amide nitrogen.


biladienes

Compounds based on a biladiene skeleton.


epoxide

Any cyclic ether in which the oxygen atom forms part of a 3-membered ring.


quinolone antibiotic

An organonitrogen heterocyclic antibiotic whose structure contains a quinolone or quinolone-related skeleton.


imidazole antifungal drug

Any imidazole antifungal agent that has been used for the treatment of fungal infections in humans or animals.


thiazide

Heterocyclic compound with sulfur and nitrogen in the ring.


oxetanes

Any oxacycle that is oxetane or its substituted derivatives.


heteroarene

A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).


lactam

Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.


cyclic ether

Any ether in which the oxygen atom forms part of a ring.


imidazole antifungal agent

A compound that has significant antifungal properties whose structure contains an imidazole moiety.


bisoxazole

Any ring assembly that is a compound with a structure based on two oxazole rings connected by a single bond.


conazole antifungal drug

Any conazole antifungal agent that has been used for the treatment of fungal infections in animals or humans.


organonitrogen heterocyclic compound

Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms.


conazole antifungal agent

A compound that has a structure that is related to miconazole, contains an azole (imidazole or triazole) moiety, and has significant systemic antifungal properties.  They inhibit cytochrome P450-dependent enzymes (particularly C14-demethylase) involved in the biosynthesis of ergosterol, which is required for fungal cell membrane structure and function.


A member of the class of imidazoles that is 1,3-dihydroimidazole-2-thione and its derivatives by substitution.


cyclic ketal

A ketal in the molecule of which the ketal carbon and one or both oxygen atoms thereon are members of a ring.


imidazoles

A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.


pyrazinoindole

An organic heterotricyclic compound comprising a pyrazine ring fused to an indole ring system.


beta-lactam antibiotic allergen

Any beta-lactam antibiotic which causes the onset of an allergic reaction.


oxacycle

Any organic heterocyclic compound containing at least one ring oxygen atom.