Summary

IMPPAT Phytochemical identifier: IMPHY011075

Phytochemical name: 9,12,15-Octadecatrien-1-ol, (9Z,12Z,15Z)-

Synonymous chemical names:
9,12,15-octadecatrienol

External chemical identifiers:
CID:68169, SureChEMBL:SCHEMBL290115

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Chemical structure information

SMILES:
OCCCCCCCCC=CCC=CCC=CCC

InChI:
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3

InChIKey:
IKYKEVDKGZYRMQ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCC=CCC=CCC=CCC

Functional groups:
CC=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: 1.46

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Chemical structure download