Summary

IMPPAT Phytochemical identifier: IMPHY016461

Phytochemical name: 5-Octadecene, (E)-

Synonymous chemical names:
5-octadecene

External chemical identifiers:
CID:5364598, SureChEMBL:SCHEMBL1222180

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Chemical structure information

SMILES:
CCCCCCCCCCCC/C=C/CCCC

InChI:
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-18H2,1-2H3/b11-9+

InChIKey:
YIYQJOMDMPTKEL-PKNBQFBNSA-N

DeepSMILES:
CCCCCCCCCCCC/C=C/CCCC

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: 0.845

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Chemical structure download