Summary

IMPPAT Phytochemical identifier: IMPHY013978

Phytochemical name: 1-Pentacosene

Synonymous chemical names:
1-pentacosene, pentacos-1-ene, pentacosene

External chemical identifiers:
CID:528972, ChEBI:78465, FDASRS:4NJA26G80G, SureChEMBL:SCHEMBL338919

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC=C

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/h3H,1,4-25H2,2H3

InChIKey:
BDWBGSCECOPTTH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC=C

Functional groups:
C=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: 0.407

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Chemical structure download