CHEBI:176586 - N-acetyl-L-aspartic acid-1,2,3,4-13C4

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ChEBI Name N-acetyl-L-aspartic acid-1,2,3,4-13C4
ChEBI ID CHEBI:176586
ChEBI ASCII Name N-acetyl-L-aspartic acid-1,2,3,4-(13)C4
Definition A 13C-modified compound that is N-acetyl-L-aspartic acid in which the carbon atoms at postions 1, 2, 3 and 4 are present as their 13C isotopes. Used in biological studies for metabolic alterations associated with schizophrenia.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Le Qi
Supplier Information
Download Molfile XML SDF
Formula C2[13C]4H9NO5
Net Charge 0
Average Mass 179.109
Monoisotopic Mass 179.06149
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/i2+1,4+1,5+1,6+1
InChIKey OTCCIMWXFLJLIA-OCZMAYJFSA-N
SMILES CC(=O)N[13C@@H]([13CH2][13C](O)=O)[13C](O)=O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via N-acetyl-L-aspartic acid )
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).
(via N-acetyl-L-aspartic acid )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acetyl-L-aspartic acid )
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
(via N-acetyl-L-aspartic acid )
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.
(via N-acetyl-L-aspartic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-acetyl-L-aspartic acid-1,2,3,4-13C4 (CHEBI:176586) is a N-acetyl-L-aspartic acid (CHEBI:21547)
N-acetyl-L-aspartic acid-1,2,3,4-13C4 (CHEBI:176586) is a 13C-modified compound (CHEBI:139357)
IUPAC Name
N-acetyl-L-(13C4)aspartic acid
Synonyms Sources
(2S)-2-acetamido(13C4)butanedioic acid IUPAC
N-acetyl-L-aspartic acid-1,2,3,4-[13C4] ChEBI
Manual Xref Database
49071507 ChemSpider
View more database links
Registry Number Type Source
1217460-88-2 CAS Registry Number SUBMITTER
Last Modified
24 June 2021