Summary

IMPPAT Phytochemical identifier: IMPHY007080

Phytochemical name: 3-Methylnonacosane

Synonymous chemical names:
3-methyl nonacosane, 3-methylnonacosane

External chemical identifiers:
CID:85691, SureChEMBL:SCHEMBL4406475

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C30H62/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(3)5-2/h30H,4-29H2,1-3H3

InChIKey:
DCKPETUZJQNEBD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC))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: 0.371

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Chemical structure download