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

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3-phenylpropanal

	Properties	Image
MNX_ID	MNXM117611
reference	chebi:39940
formula	C₉H₁₀O
global charge	0
mol weight	134.178
InChIKey	YGCZTXZTJXYWCO-UHFFFAOYSA-N
InChI	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
SMILES	O=CCCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
SMILES (mnx)	[CH:1]1=[CH:2][CH:5]=[C:9]([CH2:7][CH2:4][CH:8]=[O:10])[CH:6]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:39940 chebi:39940 YGCZTXZTJXYWCO-UHFFFAOYSA-N	3-phenylpropanal 3-phenyl-1-propanal 3-phenylpropan-1-al 3-phenylpropionaldehyde 3-phenylpropyl aldehyde 3-phenylpropylaldehyde benzenepropanal benzylacetaldehyde beta-phenylpropionaldehyde dihydrocinnamaldehyde hydrocinnamaldehyde hydrocinnamic aldehyde hydrocinnamylaldehyde
sabiork.compound:23401 sabiorkM:23401 YGCZTXZTJXYWCO-UHFFFAOYSA-N	3-Phenyl-1-propanone 3-Phenylpropanal
hmdb:HMDB0033716 YGCZTXZTJXYWCO-UHFFFAOYSA-N	3-Phenylpropanal 3-Phenyl-1-propanal 3-Phenyl-propionaidehyde 3-Phenyl-propionaldehyde 3-Phenylpropan-1-al 3-Phenylpropanaldehyde 3-Phenylpropionaldehyde 3-Phenylpropyl aldehyde 3-Phenylpropylaldehyde 3-phenylpropanal Benzenepropanal Benzenepropanal, 9ci Benzylacetaldehyde Dihydrocinnamaldehyde FEMA 2887 Hydrocinnamaldehyde Hydrocinnamic aldehyde Hydrocinnamylaldehyde Phenyl-propanal Phenylpropionaldehyde b-Phenylpropionaldehyde benzenepropanal beta -Phenylpropionaldehyde beta-Phenylpropionaldehyde beta-phenylpropionaldehyde
sabiork.compound:30056 sabiorkM:30056 YGCZTXZTJXYWCO-UHFFFAOYSA-N	3-Phenylpropionaldehyde
seed.compound:cpd35530 seedM:cpd35530 YGCZTXZTJXYWCO-UHFFFAOYSA-N	3-phenylpropanal 3-phenylpropionaldehyde 3-phenylpropylaldehyde benzenepropanal hydrocinnamic aldehyde hydrocinnamylaldehyde
sabiork.compound:20963 sabiorkM:20963 YGCZTXZTJXYWCO-UHFFFAOYSA-N	Hydrocinnamaldehyde
metacyc.compound:CPD-19228 metacycM:CPD-19228 YGCZTXZTJXYWCO-UHFFFAOYSA-N	benzenepropanal 3-phenylpropanal 3-phenylpropionaldehyde 3-phenylpropylaldehyde hydrocinnamic aldehyde hydrocinnamylaldehyde
envipath:...fe4df752bfb1 envipathM:...fe4df752bfb1 YGCZTXZTJXYWCO-UHFFFAOYSA-N	compound 0044231
hmdb:HMDB33716 seedM:M_cpd35530	secondary/obsolete/fantasy identifier