Summary

IMPPAT Phytochemical identifier: IMPHY016174

Phytochemical name: 1,21-Docosadiene

Synonymous chemical names:
1,21-docosadiene

External chemical identifiers:
CID:104396, ZINC:ZINC000006921171, SureChEMBL:SCHEMBL477953

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Chemical structure information

SMILES:
C=CCCCCCCCCCCCCCCCCCCC=C

InChI:
InChI=1S/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2

InChIKey:
RBJABTJRYMHYOP-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCCCCCCCCCCCC=C

Functional groups:
C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.402

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Chemical structure download