Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003477

Phytochemical name: 3-Methylpentadecane

Synonymous chemical names:
3-methylpentadecane, 3-methyl-pentadecane

External chemical identifiers:
CID:CID_17899, FDASRS:X64R3JC095, SureChEMBL:SCHEMBL1116076

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C16H34/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2/h16H,4-15H2,1-3H3

InChIKey:
FWXKCXJPHSAYMK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC))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: 0.696

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Chemical structure download