Summary

IMPPAT Phytochemical identifier: IMPHY017416

Phytochemical name: (E)-3-Octadecene

Synonymous chemical names:
(e)-3-octadecene

External chemical identifiers:
CID:5365984, SureChEMBL:SCHEMBL1003229

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC/C=C/CC

InChI:
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-18H2,1-2H3/b7-5+

InChIKey:
OCKCCFAPMYQFLZ-FNORWQNLSA-N

DeepSMILES:
CCCCCCCCCCCCCC/C=C/CC

Functional groups:
C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.986

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Chemical structure download