Summary

IMPPAT Phytochemical identifier: IMPHY009375

Phytochemical name: Docosane

Synonymous chemical names:
decosane, docosane, n-docosane, n-docosane (c-22), n-docosane*

External chemical identifiers:
CID:12405, ChEBI:46050, ZINC:ZINC000006920415, FDASRS:OW99Q363KO, SureChEMBL:SCHEMBL60625, MolPort-003-926-308

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChIKey:
HOWGUJZVBDQJKV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC

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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: 0.111

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Chemical structure download