Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012153

Phytochemical name: Undecylenic acid

Synonymous chemical names:
10-undecenoic acid

External chemical identifiers:
CID:CID_5634, ChEMBL:CHEMBL1276010, ChEBI:CHEBI:35045, ZINC:ZINC000001577120, FDASRS:K3D86KJ24N, SureChEMBL:SCHEMBL17827, MolPort-002-507-392

---

Chemical structure information

SMILES:
C=CCCCCCCCCC(=O)O

InChI:
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)

InChIKey:
FRPZMMHWLSIFAZ-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCC=O)O

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

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP009201

---

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: 1.027

---

Chemical structure download