Summary

IMPPAT Phytochemical identifier: IMPHY016431

Phytochemical name: 4-Methyldocosane

Synonymous chemical names:
4-methyldocosane

External chemical identifiers:
CID:520181, SureChEMBL:SCHEMBL3469393

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC(CCC)C

InChI:
InChI=1S/C23H48/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3)21-5-2/h23H,4-22H2,1-3H3

InChIKey:
ATAWCABZIRDUSP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC)))C

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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: 0.498

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Chemical structure download