Summary

IMPPAT Phytochemical identifier: IMPHY016283

Phytochemical name: 2-Pentenoic acid

Synonymous chemical names:
2-pentenoic acid

External chemical identifiers:
CID:638122, ChEMBL:CHEMBL115668, ChEBI:38366, ZINC:ZINC000001634091, FDASRS:1RG66883CF, SureChEMBL:SCHEMBL31609, MolPort-001-769-804

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Chemical structure information

SMILES:
CC/C=C/C(=O)O

InChI:
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+

InChIKey:
YIYBQIKDCADOSF-ONEGZZNKSA-N

DeepSMILES:
CC/C=C/C=O)O

Functional groups:
C/C=C/C(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.63

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Chemical structure download