N-acetyl-L-aspartate(2-) (CHEBI:16953)

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ChEBI Name	N-acetyl-L-aspartate(2−)

ChEBI ID	CHEBI:16953

ChEBI ASCII Name	N-acetyl-L-aspartate(2-)

Definition	A doubly-charged N-acyl-L-α-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-L-aspartic acid.

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

Secondary ChEBI IDs	CHEBI:12574, CHEBI:7149, CHEBI:21546, CHEBI:87271

Supplier Information

Download	Molfile XML SDF

Formula

C6H7NO5

Net Charge

-2

Average Mass

173.124

Monoisotopic Mass

173.03352

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)/p-2/t4-/m0/s1

InChIKey

OTCCIMWXFLJLIA-BYPYZUCNSA-L

SMILES

N(C(=O)C)[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.

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).

ChEBI Ontology
Outgoing	N-acetyl-L-aspartate(2−) (CHEBI:16953) has functional parent L-aspartate(2−) (CHEBI:29993) N-acetyl-L-aspartate(2−) (CHEBI:16953) has role antioxidant (CHEBI:22586) N-acetyl-L-aspartate(2−) (CHEBI:16953) has role human metabolite (CHEBI:77746) N-acetyl-L-aspartate(2−) (CHEBI:16953) has role mouse metabolite (CHEBI:75771) N-acetyl-L-aspartate(2−) (CHEBI:16953) has role rat metabolite (CHEBI:86264) N-acetyl-L-aspartate(2−) (CHEBI:16953) is a N-acyl-L-α-amino acid anion (CHEBI:59874) N-acetyl-L-aspartate(2−) (CHEBI:16953) is a dicarboxylic acid dianion (CHEBI:28965) N-acetyl-L-aspartate(2−) (CHEBI:16953) is conjugate base of N-acetyl-L-aspartic acid (CHEBI:21547)

Incoming	N-acetyl-L-aspartic acid (CHEBI:21547) is conjugate acid of N-acetyl-L-aspartate(2−) (CHEBI:16953) N-terminal N-acetyl-L-aspartate residue (CHEBI:140856) is substituent group from N-acetyl-L-aspartate(2−) (CHEBI:16953)

IUPAC Name

(2S)-2-acetamidobutanedioate

Registry Number	Type	Source
2250815	Gmelin Registry Number	Gmelin

Last Modified

11 March 2016