Summary

IMPPAT Phytochemical identifier: IMPHY015283

Phytochemical name: 2-Methylhexacosane

Synonymous chemical names:
2-methylhexacosane

External chemical identifiers:
CID:150931, FDASRS:H75543DI44, SureChEMBL:SCHEMBL5301471, MolPort-047-581-999

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C27H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h27H,4-26H2,1-3H3

InChIKey:
BEBPORIYFVRVCP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC)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: 0.247

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Chemical structure download