N-Acetyl-aspartyl-glutamate (CHEBI:191259)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-Acetyl-aspartyl-glutamate

ChEBI ID	CHEBI:191259

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H16N2O8

Net Charge

Average Mass

304.255

Monoisotopic Mass

304.09067

InChI

InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7+/m0/s1

InChIKey

OPVPGKGADVGKTG-NKWVEPMBSA-N

SMILES

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

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	N-Acetyl-aspartyl-glutamate (CHEBI:191259) is a peptide (CHEBI:16670)

IUPAC Name

(2S)-2-[[(2R)-2-acetamido-3-carboxypropanoyl]amino]pentanedioic acid