Summary

IMPPAT Phytochemical identifier: IMPHY016391

Phytochemical name: 3-Methyltridecane

Synonymous chemical names:
3-methyltridecane

External chemical identifiers:
CID:110848, SureChEMBL:SCHEMBL555207

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Chemical structure information

SMILES:
CCCCCCCCCCC(CC)C

InChI:
InChI=1S/C14H30/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h14H,4-13H2,1-3H3

InChIKey:
NLHRRMKILFRDGV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC))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: 0.795

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Chemical structure download