Summary

IMPPAT Phytochemical identifier: IMPHY004518

Phytochemical name: 2-Methylpentacosane

Synonymous chemical names:
2-methylpentacosane, isohexacosane

External chemical identifiers:
CID:526118, ZINC:ZINC000103642111, FDASRS:S0NEC7M413, SureChEMBL:SCHEMBL11225631

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(C)C

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

InChIKey:
ZRNSSRODJSSVEJ-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: 0.256

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Chemical structure download