Summary

IMPPAT Phytochemical identifier: IMPHY016633

Phytochemical name: E,E,Z-1,3,12-Nonadecatriene-5,14-diol

Synonymous chemical names:
e,e,z-1,3,12-nonadecatriene-5,14-diol

External chemical identifiers:
CID:5364768

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Chemical structure information

SMILES:
CCCCCC(/C=CCCCCCCC(/C=C/C=C)O)O

InChI:
InChI=1S/C19H34O2/c1-3-5-11-15-19(21)17-13-10-8-7-9-12-16-18(20)14-6-4-2/h4,6,13-14,17-21H,2-3,5,7-12,15-16H2,1H3/b14-6+,17-13-

InChIKey:
AWDHIFBTFZYCRJ-JRJJAPTRSA-N

DeepSMILES:
CCCCCC/C=CCCCCCCC/C=C/C=C))))O))))))))))O

Functional groups:
C/C=CC, C=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: 1.891

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Chemical structure download