Summary

IMPPAT Phytochemical identifier: IMPHY014792

Phytochemical name: 9,12-Octadecadienal

Synonymous chemical names:
9,12-octadecadienal

External chemical identifiers:
CID:5283383, ChEBI:165522, SureChEMBL:SCHEMBL910363, MolPort-047-409-270

---

Chemical structure information

SMILES:
CCCCC/C=C/C/C=C/CCCCCCCC=O

InChI:
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,18H,2-5,8,11-17H2,1H3/b7-6+,10-9+

InChIKey:
HXLZULGRVFOIDK-AVQMFFATSA-N

DeepSMILES:
CCCCC/C=C/C/C=C/CCCCCCCC=O

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

---

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: 1.379

---

Chemical structure download