Summary

IMPPAT Phytochemical identifier: IMPHY010053

Phytochemical name: 9,12-Octadecadien-1-OL

Synonymous chemical names:
9,12-octadecadienol

External chemical identifiers:
CID:5462912, ZINC:ZINC000005510446, SureChEMBL:SCHEMBL1301347

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Chemical structure information

SMILES:
CCCCC/C=C/C/C=C/CCCCCCCCO

InChI:
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6+,10-9+

InChIKey:
JXNPEDYJTDQORS-AVQMFFATSA-N

DeepSMILES:
CCCCC/C=C/C/C=C/CCCCCCCCO

Functional groups:
C/C=C/C, 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: 1.28

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Chemical structure download