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

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4-hydroxyphenylacetate

	Properties	Image
MNX_ID	MNXM735208
reference	chebi:48999
formula	C₈H₇O₃
global charge	-1
mol weight	151.141
InChIKey	XQXPVVBIMDBYFF-UHFFFAOYSA-M
InChI	InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/p-1
SMILES	O=C([O-])CC1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([OH:9])=[CH:4][CH:2]=[C:6]1[CH2:5][C:8](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	33
in models (compartimentalized)	16

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48999 chebi:48999 XQXPVVBIMDBYFF-UHFFFAOYSA-M	4-hydroxyphenylacetate (4-hydroxyphenyl)acetate (p-hydroxyphenyl)acetate 2-(4-hydroxyphenyl)ethanoate 4-hydroxybenzeneacetate
metacyc.compound:4-HYDROXYPHENYLACETATE metacycM:4-HYDROXYPHENYLACETATE XQXPVVBIMDBYFF-UHFFFAOYSA-M	(4-hydroxyphenyl)acetate 4-HPA 4-hydroxyphenyl acetate 4-hydroxyphenylacetic acid DL-para-hydroxyphenylacetic acid benzeneacetic acid, 4-hydroxy- p-hydroxyphenylacetate p-hydroxyphenylacetic acid
bigg.metabolite:4hoxpac biggM:4hoxpac XQXPVVBIMDBYFF-UHFFFAOYSA-N	4 Hydroxyphenylacetic acid
bigg.metabolite:4hphac biggM:4hphac envipath:...5cd134f03c97 envipathM:...5cd134f03c97 vmhM:4hoxpac vmhmetabolite:4hoxpac XQXPVVBIMDBYFF-UHFFFAOYSA-M XQXPVVBIMDBYFF-UHFFFAOYSA-N	4-Hydroxyphenylacetate
seed.compound:cpd00489 seedM:cpd00489 XQXPVVBIMDBYFF-UHFFFAOYSA-M	4-Hydroxyphenylacetate (4-hydroxyphenyl)acetate 4-HPA 4-Hydroxyphenylacetic acid 4-hydroxyphenyl acetate 4-hydroxyphenylacetate 4-hydroxyphenylacetic acid 4hphac DL-para-hydroxyphenylacetic acid benzeneacetic acid, 4-hydroxy- p-hydroxyphenylacetate p-hydroxyphenylacetic acid
kegg.compound:C00642 keggC:C00642 XQXPVVBIMDBYFF-UHFFFAOYSA-N	4-Hydroxyphenylacetate 4-Hydroxyphenylacetic acid
vmhM:4hphac vmhmetabolite:4hphac XQXPVVBIMDBYFF-UHFFFAOYSA-M	4-hydroxyphenylacetate 2-(4-hydroxyphenyl)acetic acid
CHEBI:18101 chebi:18101 XQXPVVBIMDBYFF-UHFFFAOYSA-N	4-hydroxyphenylacetic acid (4-hydroxyphenyl)acetic acid (p-hydroxyphenyl)acetic acid 4-Hydroxyphenylacetate 4-Hydroxyphenylacetic acid 4-carboxymethylphenol 4-hydroxybenzeneacetic acid p-hydroxyphenylacetic acid
envipath:...d167cc692982 envipathM:...d167cc692982 XQXPVVBIMDBYFF-UHFFFAOYSA-M	compound 0038564
hmdb:HMDB0000020 XQXPVVBIMDBYFF-UHFFFAOYSA-N	p-Hydroxyphenylacetic acid (4-Hydroxy-phenyl)-acetate (4-Hydroxy-phenyl)-acetic acid (4-Hydroxy-phenyl)-essigsaeure (4-Hydroxyphenyl)acetate (4-Hydroxyphenyl)acetic acid (p-Hydroxyphenyl)-acetate (p-Hydroxyphenyl)-acetic acid (p-Hydroxyphenyl)acetate (p-Hydroxyphenyl)acetic acid 2-(4-Hydroxyphenyl)acetic acid 2-(4-hydroxyphenyl)acetic acid 4'-Hydroxyphenylacetic acid 4-Carboxymethylphenol 4-Hydroxy-benzeneacetate 4-Hydroxy-benzeneacetic acid 4-Hydroxybenzeneacetate 4-Hydroxybenzeneacetic acid 4-Hydroxyphenyl-acetic acid 4-Hydroxyphenylacetate 4-Hydroxyphenylacetic acid 4-hydroxyphenylacetic acid Para-hydroxyphenylacetic acid Parahydroxy phenylacetate Parahydroxy phenylacetic acid Parahydroxyphenylacetate p-Hydroxyphenylacetate
hmdb:HMDB00020 chebi:12014 chebi:1874 chebi:20419 chebi:40091 biggM:M_4hoxpac biggM:M_4hphac keggC:M_C00642 seedM:M_cpd00489 vmhM:M_4hoxpac vmhM:M_4hphac	secondary/obsolete/fantasy identifier