Summary

IMPPAT Phytochemical identifier: IMPHY015641

Phytochemical name: trans-2-Hexenoic acid

Synonymous chemical names:
(e)-hex-2-enoic acid, (e)-hex-2-enoic acid, 2- hexenoic acid, 2-hexenoic acid

External chemical identifiers:
CID:5282707, ChEMBL:CHEMBL2252747, ChEBI:87721, ZINC:ZINC000001850698, FDASRS:VQ24908VRU, SureChEMBL:SCHEMBL23614, MolPort-000-156-285

---

Chemical structure information

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

InChI:
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+

InChIKey:
NIONDZDPPYHYKY-SNAWJCMRSA-N

DeepSMILES:
CCC/C=C/C=O)O

Functional groups:
C/C=C/C(=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: 1.549

---

Chemical structure download