Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015412

Phytochemical name: (Z)-13-Octadecenal

Synonymous chemical names:
13-octadecenal, (z), (z)-13-octadecenal

External chemical identifiers:
CID:CID_5364497, ZINC:ZINC000033840740, FDASRS:FJA253248W, SureChEMBL:SCHEMBL811956

---

Chemical structure information

SMILES:
O=CCCCCCCCCCCC/C=C\CCCC

InChI:
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-

InChIKey:
QIRGIHPYVVKWTO-WAYWQWQTSA-N

DeepSMILES:
O=CCCCCCCCCCCC/C=C\CCCC

Functional groups:
CC=O, C/C=C\C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.119

---

Chemical structure download