Summary

IMPPAT Phytochemical identifier: IMPHY012267

Phytochemical name: 1,2-Tetradecanediol

Synonymous chemical names:
1,2-tetradecanediol

External chemical identifiers:
CID:89436, ChEBI:84951, FDASRS:XJ32081WYO, SureChEMBL:SCHEMBL466171, MolPort-001-790-248

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(CO)O

InChI:
InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h14-16H,2-13H2,1H3

InChIKey:
DWANEFRJKWXRSG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCO))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: 0.992

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Chemical structure download