Summary

IMPPAT Phytochemical identifier: IMPHY007296

Phytochemical name: 3-Methyldotriacontane

Synonymous chemical names:
3-methyldotriacontane

External chemical identifiers:
CID:89275, SureChEMBL:SCHEMBL5299685

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C33H68/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(3)5-2/h33H,4-32H2,1-3H3

InChIKey:
YXJZLSDRPAJSLL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC))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: 0.337

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Chemical structure download