Summary

IMPPAT Phytochemical identifier: IMPHY014046

Phytochemical name: trans-5-Octadecenoic acid

Synonymous chemical names:
thalictric acid

External chemical identifiers:
CID:5282753, SureChEMBL:SCHEMBL2324967

---

Chemical structure information

SMILES:
CCCCCCCCCCCC/C=C/CCCC(=O)O

InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13+

InChIKey:
AQWHMKSIVLSRNY-BUHFOSPRSA-N

DeepSMILES:
CCCCCCCCCCCC/C=C/CCCC=O)O

Functional groups:
C/C=C/C, 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: 0.899

---

Chemical structure download