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2-Oxo-4-phosphonobutanoate

PropertiesImage
MNX_IDMNXM9882 Image of MNXM9882
referencechebi:81397
formulaC4H7O6P
global charge0
mol weight182.068
InChIKeyJDJXYEAWFIGKSA-UHFFFAOYSA-N
InChIInChI=1S/C4H7O6P/c5-3(4(6)7)1-2-11(8,9)10/h1-2H2,(H,6,7)(H2,8,9,10)
SMILESO=C(O)C(=O)CCP(=O)(O)O
MNX internals
InChI (mnx)InChI=1/C4H7O6P/c5-3(4(6)7)1-2-11(8,9)10/h1-2H2,(H,6,7)(H2,8,9,10) Image of MNXM9882
SMILES (mnx)[CH2:1]([CH2:2][P:11]([OH:8])([OH:9])=[O:10])[C:3]([C:4]([OH:6])=[O:7])=[O:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81397
chebi:81397
kegg.compound:C17941
keggC:C17941
JDJXYEAWFIGKSA-UHFFFAOYSA-N 		2-Oxo-4-phosphonobutanoate
2-Oxo-4-phosphonobutanoic acid

seed.compound:cpd17927
seedM:cpd17927
JDJXYEAWFIGKSA-UHFFFAOYSA-L 		2-Oxo-4-phosphonobutanoate
2-Oxo-4-phosphonobutanoic acid
2-oxo-4-phosphonobutanoate
2-oxo-4-phosphonobutyrate

CHEBI:228808
chebi:228808
JDJXYEAWFIGKSA-UHFFFAOYSA-L 		2-oxo-4-phosphonobutanoate
2-oxo-4-phosphonobutanoate(2-)

metacyc.compound:CPD-15965
metacycM:CPD-15965
JDJXYEAWFIGKSA-UHFFFAOYSA-L 		2-oxo-4-phosphonobutanoate
2-oxo-4-phosphonobutyrate

envipath:...5238aa0e27e0
envipathM:...5238aa0e27e0
JDJXYEAWFIGKSA-UHFFFAOYSA-K 		compound 0070615

keggC:M_C17941
seedM:M_cpd17927 		secondary/obsolete/fantasy identifier