Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018039

Phytochemical name: 2-Methyl-Z,Z-3,13-octadecadienol

Synonymous chemical names:
2-Methyl-Z,Z-3,13-octadecadienol

External chemical identifiers:
CID:CID_5364412

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Chemical structure information

SMILES:
CCCC/C=C\CCCCCCCC/C=C\C(CO)C

InChI:
InChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h6-7,16-17,19-20H,3-5,8-15,18H2,1-2H3/b7-6-,17-16-

InChIKey:
ZIOOKYHAOBSYOH-DNNFRFAMSA-N

DeepSMILES:
CCCC/C=C\CCCCCCCC/C=C\CCO))C

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: 1.506

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Chemical structure download