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3-Pyridinebutanoic acid

PropertiesImage
MNX_IDMNXM10157 Image of MNXM10157
referencechebi:173736
formulaC9H11NO2
global charge0
mol weight165.192
InChIKeyMFYZACBRKCFXDV-UHFFFAOYSA-N
InChIInChI=1S/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12)
SMILESO=C(O)CCCC1=CC=CN=C1
MNX internals
InChI (mnx)InChI=1/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12) Image of MNXM10157
SMILES (mnx)[CH2:1]([CH2:3][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)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173736
chebi:173736
MFYZACBRKCFXDV-UHFFFAOYSA-N
3-Pyridinebutanoic acid
4-pyridin-3-ylbutanoic acid
hmdb:HMDB0001007
MFYZACBRKCFXDV-UHFFFAOYSA-N
3-Pyridinebutanoic acid
3-Pyridinebutanoate
4-(3-Pyridyl)-butanoate
4-(3-Pyridyl)-butanoic acid
4-(Pyridin-3-yl)butanoate
4-(pyridin-3-yl)butanoic acid
4-3-Pyridyl-butanoate
4-3-Pyridyl-butanoic acid
4-Pyridin-3-ylbutanoate
4-Pyridin-3-ylbutanoic acid

metacyc.compound:4-3-PYRIDYL-BUTANOATE
metacycM:4-3-PYRIDYL-BUTANOATE
seed.compound:cpd22104
seedM:cpd22104
MFYZACBRKCFXDV-UHFFFAOYSA-M
4-(3-pyridyl)-butanoate
4-(3-pyridyl)-butanoic acid

hmdb:HMDB01007
seedM:M_cpd22104
secondary/obsolete/fantasy identifier