EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77851 - (2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2−)

ChEBI IDCHEBI:77851
ChEBI Name(2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2−)
Stars
ASCII Name(2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2-)
DefinitionAn organophosphate oxoanion that is a dianionic form of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified22 May 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC4H6NO7P
Net Charge-2
Average Mass211.066
Monoisotopic Mass210.98929
SMILES[NH3+][C@H](C(=O)[O-])C(=O)COP(=O)([O-])[O-]
InChIInChI=1S/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)/p-2/t3-/m0/s1
InChIKeyLMKSRFWSQAKTOE-VKHMYHEASA-L
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2−) (CHEBI:77851) is a organophosphate oxoanion (CHEBI:58945)
(2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2−) (CHEBI:77851) is a α-amino-acid anion (CHEBI:33558)
(2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2−) (CHEBI:77851) is conjugate acid of (2S)-2-amino-3-oxo-4-(phosphonatooxy)butanoate(3−) (CHEBI:64178)
Incoming Relation(s)
(2S)-2-amino-3-oxo-4-(phosphonatooxy)butanoate(3−) (CHEBI:64178) is conjugate base of (2S)-2-ammonio-3-oxo-4-(phosphonatooxy)butanoate(2−) (CHEBI:77851)
IUPAC Name 
(2S)-2-azaniumyl-3-oxo-4-(phosphonatooxy)butanoate
UniProt Name  Source
(2S)-2-amino-3-oxo-4-(phosphooxy)butanoateUniProt