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

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(4-hydroxyphenyl)acetaldehyde

	Properties	Image
MNX_ID	MNXM479
reference	chebi:15621
formula	C₈H₈O₂
global charge	0
mol weight	136.15
InChIKey	IPRPPFIAVHPVJH-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
SMILES	O=CCC1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
SMILES (mnx)	[CH:1]1=[CH:3][C:8]([OH:10])=[CH:4][CH:2]=[C:7]1[CH2:5][CH:6]=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-500608 reactomeM:R-ALL-500608 reactome:R-ALL-5696178 reactomeM:R-ALL-5696178 CHEBI:15621 chebi:15621 IPRPPFIAVHPVJH-UHFFFAOYSA-N	(4-hydroxyphenyl)acetaldehyde 2-(4-Hydroxyphenyl)acetaldehyde 4-Hydroxyphenylacetaldehyde p-Hydroxyphenylacetaldehyde pOH-Ph-CH2CHO
vmhM:4hoxpacd vmhmetabolite:4hoxpacd IPRPPFIAVHPVJH-UHFFFAOYSA-N	(4-hydroxyphenyl)acetaldehyde 2-(4-hydroxyphenyl)acetaldehyde
metacyc.compound:HYDRPHENYLAC-CPD metacycM:HYDRPHENYLAC-CPD IPRPPFIAVHPVJH-UHFFFAOYSA-N	(4-hydroxyphenyl)acetaldehyde HPAL
bigg.metabolite:4hoxpacd biggM:4hoxpacd IPRPPFIAVHPVJH-UHFFFAOYSA-N	4-Hydroxyphenylacetaldehyde
hmdb:HMDB0003767 IPRPPFIAVHPVJH-UHFFFAOYSA-N	4-Hydroxyphenylacetaldehyde (4-Hydroxyphenyl)acetaldehyde (p-Hydroxyphenyl)acetaldehyde 2-(4-Hydroxyphenyl)acetaldehyde 2-(4-hydroxyphenyl)acetaldehyde 4-Hydroxybenzeneacetaldehyde 4-Hydroxyphenylacetadehyde POH-PH-CH2CHO p-Hydroxyphenylacetaldehyde p-hydroxyphenylacetaldehyde
seed.compound:cpd02361 seedM:cpd02361 IPRPPFIAVHPVJH-UHFFFAOYSA-N	4-Hydroxyphenylacetaldehyde (4-hydroxyphenyl)acetaldehyde 2-(4-Hydroxyphenyl)acetaldehyde 4hoxpacd HPAL
sabiork.compound:6840 sabiorkM:6840 kegg.compound:C03765 keggC:C03765 IPRPPFIAVHPVJH-UHFFFAOYSA-N	4-Hydroxyphenylacetaldehyde 2-(4-Hydroxyphenyl)acetaldehyde
envipath:...601157cdee93 envipathM:...601157cdee93 IPRPPFIAVHPVJH-UHFFFAOYSA-N	compound 0000067
envipath:...daaaecd2fc96 envipathM:...daaaecd2fc96 IPRPPFIAVHPVJH-UHFFFAOYSA-N	compound 0042653
hmdb:HMDB03767 chebi:10899 chebi:12012 chebi:1872 chebi:20417 biggM:M_4hoxpacd keggC:M_C03765 seedM:M_cpd02361 vmhM:M_4hoxpacd	secondary/obsolete/fantasy identifier