Search MNXref
 Feedback

2-Oxo-4-phenylbutyric acid

PropertiesImage
MNX_IDMNXM101665 Image of MNXM101665
referencechebi:181422
formulaC10H10O3
global charge0
mol weight178.187
InChIKeyPPKAIMDMNWBOKN-UHFFFAOYSA-N
InChIInChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
SMILESO=C(O)C(=O)CCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) Image of MNXM101665
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH2:7][C:9]([C:10]([OH:12])=[O:13])=[O:11])[CH:5]=[CH:3]1
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:181422
chebi:181422
PPKAIMDMNWBOKN-UHFFFAOYSA-N 		2-Oxo-4-phenylbutyric acid
2-oxo-4-phenylbutanoic acid

kegg.compound:C20327
keggC:C20327
PPKAIMDMNWBOKN-UHFFFAOYSA-N 		2-Oxo-4-phenylbutyric acid
2-Oxo-4-phenylbutanoate
2-Oxo-4-phenylbutanoic acid

seed.compound:cpd31035
seedM:cpd31035
PPKAIMDMNWBOKN-UHFFFAOYSA-M 		2-Oxo-4-phenylbutyric acid
2-Oxo-4-phenylbutanoate
2-Oxo-4-phenylbutanoic acid
2-oxo-4-phenylbutanoate
2-oxo-4-phenylbutyrate

metacyc.compound:CPD-15326
metacycM:CPD-15326
PPKAIMDMNWBOKN-UHFFFAOYSA-M 		2-oxo-4-phenylbutanoate
2-oxo-4-phenylbutyrate

envipath:...13e5624dde6b
envipathM:...13e5624dde6b
PPKAIMDMNWBOKN-UHFFFAOYSA-M 		compound 0049115

keggC:M_C20327
seedM:M_cpd31035 		secondary/obsolete/fantasy identifier