Summary

IMPPAT Phytochemical identifier: IMPHY016497

Phytochemical name: Pentacos-5-ene

Synonymous chemical names:
a pentacosene

External chemical identifiers:
CID:53673552

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC=CCCCC

InChI:
InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-25H2,1-2H3

InChIKey:
BBODBLIMVXVHHZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=CCCCC

Functional groups:
CC=CC

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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: 0.609

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Chemical structure download