Summary

IMPPAT Phytochemical identifier: IMPHY011055

Phytochemical name: 4-Pentenoic acid

Synonymous chemical names:
4-pentenoic acid

External chemical identifiers:
CID:61138, ChEMBL:CHEMBL3185583, ChEBI:35936, ZINC:ZINC000001648357, FDASRS:D4S77Y29FB, SureChEMBL:SCHEMBL115342, MolPort-001-791-898

---

Chemical structure information

SMILES:
C=CCCC(=O)O

InChI:
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)

InChIKey:
HVAMZGADVCBITI-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=O)O

Functional groups:
C=CC, CC(=O)O

---

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: 1.232

---

Chemical structure download