Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000373

Phytochemical name: Tridecane

Synonymous chemical names:
n-Tridecane, tridecane, n, 3-tridecane, Tridecane, tridecane

External chemical identifiers:
CID:CID_12388, ChEMBL:CHEMBL135694, ChEBI:CHEBI:35998, ZINC:ZINC000001693738, FDASRS:A3LZF0L939, SureChEMBL:SCHEMBL33647, MolPort-003-933-018

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Chemical structure information

SMILES:
CCCCCCCCCCCCC

InChI:
InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

InChIKey:
IIYFAKIEWZDVMP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC

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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: 0.188

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Chemical structure download