Summary

IMPPAT Phytochemical identifier: IMPHY014120

Phytochemical name: (10Z)-heptadeca-1,10-dien-5,7-diyn-3-ol

Synonymous chemical names:
carotatoxin

External chemical identifiers:
CID:6433602

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Chemical structure information

SMILES:
CCCCCC/C=CCC#CC#CCC(C=C)O

InChI:
InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-10,17-18H,2-3,5-8,11,16H2,1H3/b10-9-

InChIKey:
FXXPOEXJAUWMMJ-KTKRTIGZSA-N

DeepSMILES:
CCCCCC/C=CCC#CC#CCCC=C))O

Functional groups:
C/C=CC, C=CC, CC#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: Hydrocarbons

NP-Likeness score: 2.346

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Chemical structure download