Summary

IMPPAT Phytochemical identifier: IMPHY011021

Phytochemical name: 3-Eicosene, (E)-

Synonymous chemical names:
(e)-3- eicosene, (e)-3-eicosene, 3-eicosene

External chemical identifiers:
CID:5365051, ChEBI:151023, SureChEMBL:SCHEMBL3166346

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC/C=C/CC

InChI:
InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-20H2,1-2H3/b7-5+

InChIKey:
AKTLQTMAOYZJGI-FNORWQNLSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC/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: 0.888

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Chemical structure download