N-acetyl-L-aspartic acid (CHEBI:21547)

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ChEBI Name	N-acetyl-L-aspartic acid

ChEBI ID	CHEBI:21547

ChEBI ASCII Name	N-acetyl-L-aspartic acid

Definition	An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB42129798, ChemicalBook:CB2742654, eMolecules:475330, Selleckchem:Taurine, ZINC000003809490

Download	Molfile XML SDF

Wikipedia	License
Taurine (), or 2-aminoethanesulfonic acid, is a naturally occurring amino sulfonic acid that is widely distributed in animal tissues. It is a major constituent of bile and can be found in the large intestine. It is named after Latin taurus (cognate to Ancient Greek ταῦρος, taûros) meaning bull or ox, as it was first isolated from ox bile in 1827 by German scientists Friedrich Tiedemann and Leopold Gmelin. It was identified in human bile in 1846 by Edmund Ronalds. Although taurine is abundant in human organs, it is not an essential human dietary nutrient and is not included among nutrients with a recommended intake level. Among the diverse pathways by which natural taurine can be biosynthesized, its human pathways (primarily in the human liver) are from cysteine and/or methionine. Taurine is commonly sold as a dietary supplement, but there is no good clinical evidence that taurine supplements provide any benefit to human health. Taurine is used as a food additive for cats (who require it as an essential nutrient), dogs, and poultry.
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Formula

C6H9NO5

Net Charge

Average Mass

175.13940

Monoisotopic Mass

175.04807

InChI

InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1

InChIKey

OTCCIMWXFLJLIA-BYPYZUCNSA-N

SMILES

CC(=O)N[C@@H](CC(O)=O)C(O)=O

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

Application(s):	nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.

ChEBI Ontology
Outgoing	N-acetyl-L-aspartic acid (CHEBI:21547) has role antioxidant (CHEBI:22586) N-acetyl-L-aspartic acid (CHEBI:21547) has role human metabolite (CHEBI:77746) N-acetyl-L-aspartic acid (CHEBI:21547) has role mouse metabolite (CHEBI:75771) N-acetyl-L-aspartic acid (CHEBI:21547) has role nutraceutical (CHEBI:50733) N-acetyl-L-aspartic acid (CHEBI:21547) has role rat metabolite (CHEBI:86264) N-acetyl-L-aspartic acid (CHEBI:21547) is a N-acetyl-L-amino acid (CHEBI:21545) N-acetyl-L-aspartic acid (CHEBI:21547) is a N-acyl-L-aspartic acid (CHEBI:21647) N-acetyl-L-aspartic acid (CHEBI:21547) is conjugate acid of N-acetyl-L-aspartate(2−) (CHEBI:16953)

Incoming	Ac-Asp-Glu (CHEBI:73688) has functional parent N-acetyl-L-aspartic acid (CHEBI:21547) N-acetyl-L-aspartic acid-1,2,3,4-¹³C₄ (CHEBI:176586) is a N-acetyl-L-aspartic acid (CHEBI:21547) N-acetyl-L-aspartate(2−) (CHEBI:16953) is conjugate base of N-acetyl-L-aspartic acid (CHEBI:21547)

IUPAC Name

(2S)-2-acetamidobutanedioic acid

Synonyms	Sources
(S)-2-(acetylamino)butanedioic acid	ChEBI
(S)-2-(acetylamino)succinic acid	HMDB
acetyl-L-aspartic acid	HMDB
acetylaspartic acid	ChemIDplus
L-N-acetylaspartic acid	HMDB
N-acetylaspartic acid	ChemIDplus
NAA	HMDB

Last Modified

24 June 2021