Summary

IMPPAT Phytochemical identifier: IMPHY016627

Phytochemical name: 11-Decyldocosane

Synonymous chemical names:
docosane 11-decyl

External chemical identifiers:
CID:41440, SureChEMBL:SCHEMBL5000794

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Chemical structure information

SMILES:
CCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC

InChI:
InChI=1S/C32H66/c1-4-7-10-13-16-19-22-25-28-31-32(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h32H,4-31H2,1-3H3

InChIKey:
ZTLKOYAJKRWSKL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC))))))))))CCCCCCCCCC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.319

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Chemical structure download