2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2-) (CHEBI:142969)

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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	2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2−)

ChEBI ID	CHEBI:142969

ChEBI ASCII Name	2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2-)

Definition	The stereoconfiguration is based on CHEBI:134612, pmid:20810662

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

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C9H12N2O8

Net Charge

-2

Average Mass

276.201

Monoisotopic Mass

276.06046

InChI

InChI=1S/C9H14N2O8/c10-4(7(15)16)3-11-5(12)1-9(19,8(17)18)2-6(13)14/h4,19H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/p-2/t4-,9-/m0/s1

InChIKey

RACKNMPLNJKJHK-IGJIYHIXSA-L

SMILES

O=C(NC[C@H]([NH3+])C(=O)[O-])C[C@](CC(=O)[O-])(C([O-])=O)O

ChEBI Ontology
Outgoing	2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2−) (CHEBI:142969) has functional parent 3-amino-L-alanine (CHEBI:16303) 2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2−) (CHEBI:142969) has functional parent citric acid (CHEBI:30769) 2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2−) (CHEBI:142969) is a organic molecular entity (CHEBI:50860)

Synonym	Source
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate	UniProt

Citation	Type	Source
14688077	PubMed citation	SUBMITTER