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4-(3-Pyridyl)-3-butenoic acid

PropertiesImage
MNX_IDMNXM10156 Image of MNXM10156
referencechebi:179048
formulaC9H9NO2
global charge0
mol weight163.176
InChIKeyMHVJWSPYMHAALE-HNQUOIGGSA-N
InChIInChI=1S/C9H9NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5H2,(H,11,12)/b3-1+
SMILESO=C(O)C/C=C/C1=CC=CN=C1
MNX internals
InChI (mnx)InChI=1/C9H9NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5H2,(H,11,12)/b3-1+ Image of MNXM10156
SMILES (mnx)[CH:1](=[CH:3]/[C:8]1=[CH:7][N:10]=[CH:6][CH:2]=[CH:4]1)\[CH2:5][C:9](=[O:11])[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:179048
chebi:179048
MHVJWSPYMHAALE-HNQUOIGGSA-N 		4-(3-Pyridyl)-3-butenoic acid
(E)-4-pyridin-3-ylbut-3-enoic acid
hmdb:HMDB0001424
MHVJWSPYMHAALE-HNQUOIGGSA-N 		4-(3-Pyridyl)-3-butenoic acid
(3E)-4-(Pyridin-3-yl)but-3-enoate
(3E)-4-(pyridin-3-yl)but-3-enoic acid
4-(3-Pyridyl)-3-butenoate
4-(3-pyridyl)-3-butenoic acid

metacyc.compound:CPD-3194
metacycM:CPD-3194
seed.compound:cpd24403
seedM:cpd24403
MHVJWSPYMHAALE-HNQUOIGGSA-M 		4-(3-pyridyl)-3-butenoate
4-(3-pyridyl)-3-butenoic acid

hmdb:HMDB01424
seedM:M_cpd24403 		secondary/obsolete/fantasy identifier