Summary

IMPPAT Phytochemical identifier: IMPHY004333

Phytochemical name: 3-Methylpentacosane

Synonymous chemical names:
3-methylpentacosane

External chemical identifiers:
CID:189001, SureChEMBL:SCHEMBL4908594

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3

InChIKey:
VNSJCJLDAGMPAO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC))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: 0.428

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Chemical structure download