Summary

IMPPAT Phytochemical identifier: IMPHY015289

Phytochemical name: 2-Methyltriacontane

Synonymous chemical names:
2-methyl triacontane

External chemical identifiers:
CID:73796, FDASRS:KXJ9XHT2AS, SureChEMBL:SCHEMBL4404157

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C31H64/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)3/h31H,4-30H2,1-3H3

InChIKey:
XXXQDPROWGQIIR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)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: 0.215

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Chemical structure download