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

ChEBI IDCHEBI:142969
ChEBI Name2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2−)
Stars
ASCII Name2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioate(2-)
DefinitionThe stereoconfiguration is based on CHEBI:134612, pmid:20810662
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H12N2O8
Net Charge-2
Average Mass276.201
Monoisotopic Mass276.06046
SMILES[NH3+][C@@H](CNC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-]
InChIInChI=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
InChIKeyRACKNMPLNJKJHK-IGJIYHIXSA-L
ChEBI Ontology
Outgoing Relation(s)
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)
UniProt Name  Source
2-[(L-alanin-3-ylcarbamoyl)methyl]-2-hydroxybutanedioateUniProt
Manual XrefsDatabases
CPD-21431MetaCyc
Citations