Summary

IMPPAT Phytochemical identifier: IMPHY017909

Phytochemical name: 4-Tridecanol

Synonymous chemical names:
4-tridecanol

External chemical identifiers:
CID:98972, ChEMBL:CHEMBL1922859, SureChEMBL:SCHEMBL105856

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Chemical structure information

SMILES:
CCCCCCCCCC(CCC)O

InChI:
InChI=1S/C13H28O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13-14H,3-12H2,1-2H3

InChIKey:
VHNLHPIEIIHMHH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCC)))O

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.146

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Chemical structure download