Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002759

Phytochemical name: 1-Docosene

Synonymous chemical names:
docosene, 1 -docosene, 1-Docosene

External chemical identifiers:
CID:CID_74138, ChEBI:CHEBI:84220, ZINC:ZINC000059674948, FDASRS:AAM97MY7YB, SureChEMBL:SCHEMBL339474, MolPort-006-113-447

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCC=C

InChI:
InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3

InChIKey:
SPURMHFLEKVAAS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCC=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: 0.462

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Chemical structure download