Summary

IMPPAT Phytochemical identifier: IMPHY007612

Phytochemical name: Dotriacontanol

Synonymous chemical names:
1-dotriacontanol, dotriacontan-1-ol, dotriacontanol, n-dotriacontanol

External chemical identifiers:
CID:96117, ChEBI:77414, ZINC:ZINC000062240776, FDASRS:82J5YYF71H, SureChEMBL:SCHEMBL15716, MolPort-019-905-244

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3

InChIKey:
QOEHNLSDMADWEF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

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: 0.227

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Chemical structure download