MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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phenylglyoxal

	Properties	Image
MNX_ID	MNXM75004
reference	chebi:88868
formula	C₈H₆O₂
global charge	0
mol weight	134.134
InChIKey	OJUGVDODNPJEEC-UHFFFAOYSA-N
InChI	InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
SMILES	O=CC(=O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:7]([C:8]([CH:6]=[O:9])=[O:10])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88868 chebi:88868 OJUGVDODNPJEEC-UHFFFAOYSA-N	phenylglyoxal 2-oxo-2-phenylacetaldehyde Phenylglyoxal alpha-oxobenzeneacetaldehyde benzoylcarboxaldehyde benzoylformaldehyde phenylethanedione
sabiork.compound:22942 sabiorkM:22942 OJUGVDODNPJEEC-UHFFFAOYSA-N	Phenylglyoxal 2-Phenyl-2-oxoacetaldehyde
hmdb:HMDB0061916 OJUGVDODNPJEEC-UHFFFAOYSA-N	Phenylglyoxal 2-oxo-2-phenylacetaldehyde phenylglyoxal
seed.compound:cpd27784 seedM:cpd27784 OJUGVDODNPJEEC-UHFFFAOYSA-N	alpha-oxobenzeneacetaldehyde benzeneacetaldehyde, alpha-oxo-, monohydrate benzoylcarboxaldehyde benzoylformaldehyde glyoxal, phenyl- phenylethanedione phenylglyoxal
envipath:...d0307a784e5e envipathM:...d0307a784e5e OJUGVDODNPJEEC-UHFFFAOYSA-N	compound 0064646
metacyc.compound:PHENYLGLYOXAL metacycM:PHENYLGLYOXAL OJUGVDODNPJEEC-UHFFFAOYSA-N	phenylglyoxal alpha-oxobenzeneacetaldehyde benzeneacetaldehyde, alpha-oxo-, monohydrate benzoylcarboxaldehyde benzoylformaldehyde glyoxal, phenyl- phenylethanedione
hmdb:HMDB61916 seedM:M_cpd27784	secondary/obsolete/fantasy identifier