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2-phenylacetate

PropertiesImage
MNX_IDMNXM737265 Image of MNXM737265
referencechebi:18401
formulaC8H7O2
global charge-1
mol weight135.142
InChIKeyWLJVXDMOQOGPHL-UHFFFAOYSA-M
InChIInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
SMILESO=C([O-])CC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) Image of MNXM737265
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([CH2:6][C:8](=[O:9])[OH:10])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 18
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18401
chebi:18401
WLJVXDMOQOGPHL-UHFFFAOYSA-M
2-phenylacetate
2-phenylethanoate
phenylacetate
phenylacetate anion
phenylacetate(1-)
phenylacetic acid anion

envipath:...1aa373d9f960
envipathM:...1aa373d9f960
WLJVXDMOQOGPHL-UHFFFAOYSA-M
Phenylacetate

bigg.metabolite:pac
biggM:pac
WLJVXDMOQOGPHL-UHFFFAOYSA-M
Phenylacetic acid
hmdb:HMDB0000209
WLJVXDMOQOGPHL-UHFFFAOYSA-N
Phenylacetic acid
2-PHENYLACETIC ACID
2-PHENYLACETate
2-Phenylethanoic acid
2-phenylacetic acid
Benzeneacetate
Benzeneacetic acid
Benzylformate
Benzylformic acid
Omega-phenylacetate
Omega-phenylacetic acid
PA
PAA
Phenylacetate
Phenylacetic acid, ammonium salt
Phenylacetic acid, calcium salt
Phenylacetic acid, cesium salt
Phenylacetic acid, lithium salt
Phenylacetic acid, mercury salt
Phenylacetic acid, potassium salt
Phenylacetic acid, rubidium salt
Phenylacetic acid, sodium salt
Phenylacetic acid, sodium salt , carboxy-(11)C-labeled CPD
Phenylethanoate
Sodium phenylacetate
W-Phenylacetate
W-Phenylacetic acid
a-Toluate
a-Toluic acid
alpha-Toluate
alpha-Toluic acid
alpha-toluate
alpha-toluic acid
omega-Phenylacetic acid
omega-phenylacetic acid

seed.compound:cpd19069
seedM:cpd19069
WLJVXDMOQOGPHL-UHFFFAOYSA-M
Phenylacetic acid
2-phenylacetate
Benzeneacetic acid
Benzylformic acid
Phenylacetate
Phenylacetic_acid
benzeneacetic acid
phenylacetate
phenylacetic acid

sabiork.compound:9203
sabiorkM:9203
WLJVXDMOQOGPHL-UHFFFAOYSA-N
Phenylacetic acid
Acetic acid,phenyl ester
Acetylphenol
Phenyl acetate
Phenylacetate

kegg.compound:C07086
keggC:C07086
WLJVXDMOQOGPHL-UHFFFAOYSA-N
Phenylacetic acid
Benzeneacetic acid
Benzylformic acid
Phenylacetate

envipath:...41b86da8aebe
envipathM:...41b86da8aebe
WLJVXDMOQOGPHL-UHFFFAOYSA-M
compound 0042528

metacyc.compound:PHENYLACETATE
metacycM:PHENYLACETATE
WLJVXDMOQOGPHL-UHFFFAOYSA-M
phenylacetate
2-phenylacetate
benzeneacetic acid
phenylacetic acid

vmhM:pac
vmhmetabolite:pac
WLJVXDMOQOGPHL-UHFFFAOYSA-M
phenylacetate
2-phenylacetic acid

CHEBI:30745
chebi:30745
WLJVXDMOQOGPHL-UHFFFAOYSA-N
phenylacetic acid
2-PHENYLACETIC ACID
2-Phenylethanoic acid
Benzeneacetic acid
Benzylformic acid
Omega-Phenylacetic acid
PA
Phenylacetic acid
alpha-toluic acid
benzeneacetic acid
omega-phenylacetic acid

hmdb:HMDB0001326
hmdb:HMDB00209
hmdb:HMDB01326
chebi:14779
chebi:25975
chebi:25977
chebi:44686
chebi:8085
biggM:M_pac
keggC:M_C07086
seedM:M_cpd19069
vmhM:M_pac
secondary/obsolete/fantasy identifier