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	eMolecules:715668, ZINC000008860500

Download	Molfile XML SDF

Wikipedia	License
Estrone (E1), also spelled oestrone, is a steroid, a weak estrogen, and a minor female sex hormone. It is one of three major endogenous estrogens, the others being estradiol and estriol. Estrone, as well as the other estrogens, are synthesized from cholesterol and secreted mainly from the gonads, though they can also be formed from adrenal androgens in adipose tissue. Relative to estradiol, both estrone and estriol have far weaker activity as estrogens. Estrone can be converted into estradiol, and serves mainly as a precursor or metabolic intermediate of estradiol. It is both a precursor and metabolite of estradiol. In addition to its role as a natural hormone, estrone has been used as a medication, for instance in menopausal hormone therapy; for information on estrone as a medication, see the estrone (medication) article.
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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