Summary

IMPPAT Phytochemical identifier: IMPHY004658

Phytochemical name: (3Z,6Z,9Z)-dodecatrienol

Synonymous chemical names:
(z,z,z)-3,6,9-dodecatrien-1-ol

External chemical identifiers:
CID:5281129, ChEBI:28627, SureChEMBL:SCHEMBL9155204

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Chemical structure information

SMILES:
OCC/C=CC/C=CC/C=CCC

InChI:
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,6-7,9-10,13H,2,5,8,11-12H2,1H3/b4-3-,7-6-,10-9-

InChIKey:
OFAUAWIRDOCHFP-PDBXOOCHSA-N

DeepSMILES:
OCC/C=CC/C=CC/C=CCC

Functional groups:
C/C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.873

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Chemical structure download