Summary

IMPPAT Phytochemical identifier: IMPHY014088

Phytochemical name: 17-Pentatriacontene

Synonymous chemical names:
17-pentatriacontene

External chemical identifiers:
CID:5365022, ZINC:ZINC000100307567, SureChEMBL:SCHEMBL2021345

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCC

InChI:
InChI=1S/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32,34H2,1-2H3/b35-33+

InChIKey:
BLCUZCCTSBVFSV-LAPDZXRHSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCC

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: 0.368

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Chemical structure download