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

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2-phenylacetaldehyde

	Properties	Image
MNX_ID	MNXM473
reference	chebi:16424
formula	C₈H₈O
global charge	0
mol weight	120.151
InChIKey	DTUQWGWMVIHBKE-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
SMILES	O=CCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH:7]=[O:9])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	36
in models (compartimentalized)	21

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-500607 reactomeM:R-ALL-500607 reactome:R-ALL-9735724 reactomeM:R-ALL-9735724 CHEBI:16424 chebi:16424 DTUQWGWMVIHBKE-UHFFFAOYSA-N	2-phenylacetaldehyde 1-Oxo-2-phenylethane 2-Phenylethanal Benzacetaldehyde Benzeneacetaldehyde Hyacinthin PHENYLACETALDEHYDE Phenacetaldehyde Phenylacetaldehyde Phenylacetic aldehyde alpha-Tolualdehyde alpha-phenylacetaldehyde alpha-tolualdehyde alpha-toluic aldehyde phenylacetaldehyde
bigg.metabolite:pacald biggM:pacald envipath:...1ffa54a9d8d8 envipathM:...1ffa54a9d8d8 DTUQWGWMVIHBKE-UHFFFAOYSA-N	Phenylacetaldehyde
hmdb:HMDB0006236 DTUQWGWMVIHBKE-UHFFFAOYSA-N	Phenylacetaldehyde .alpha.-toluic aldehyde 1-oxo-2-Phenylethane 2-Phenylacetaldehyde 2-Phenylethanal 2-phenylacetaldehyde Benzacetaldehyde Benzenacetaldehyde Benzeneacetaldehyde Benzylcarboxaldehyde FEMA no. 2974 Hyacinthin Oxophenylethane Phenacetaldehyde Phenyl-acetaldehyde Phenylacetic aldehyde Phenylethanal a-Phenylacetaldehyde a-Tolualdehyde a-Toluic aldehyde alpha-Phenylacetaldehyde alpha-Tolualdehyde alpha-Toluic aldehyde alpha-phenylacetaldehyde alpha-tolualdehyde alpha-toluic aldehyde phenylacetaldehyde
sabiork.compound:2112 sabiorkM:2112 kegg.compound:C00601 keggC:C00601 DTUQWGWMVIHBKE-UHFFFAOYSA-N	Phenylacetaldehyde alpha-Tolualdehyde
seed.compound:cpd00464 seedM:cpd00464 DTUQWGWMVIHBKE-UHFFFAOYSA-N	alpha-Tolualdehyde 2-phenylacetaldehyde PAA Phenylacetaldehyde alpha-tolualdehyde hyacinthin pacald phenylacetaldehyde phenylethanal
envipath:...d51d063d721a envipathM:...d51d063d721a DTUQWGWMVIHBKE-UHFFFAOYSA-N	compound 0042646
vmhM:pacald vmhmetabolite:pacald DTUQWGWMVIHBKE-UHFFFAOYSA-N	phenylacetaldehyde 2-phenylacetaldehyde
metacyc.compound:PHENYLACETALDEHYDE metacycM:PHENYLACETALDEHYDE DTUQWGWMVIHBKE-UHFFFAOYSA-N	phenylacetaldehyde 2-phenylacetaldehyde PAA alpha-tolualdehyde hyacinthin phenylethanal
hmdb:HMDB06236 chebi:14778 chebi:25972 chebi:43163 chebi:8084 biggM:M_pacald keggC:M_C00601 seedM:M_cpd00464 vmhM:M_pacald	secondary/obsolete/fantasy identifier