Summary

IMPPAT Phytochemical identifier: IMPHY005092

Phytochemical name: Dotriacontanoic acid

Synonymous chemical names:
dotriacontanoic acid, lacceric acid, lacceroic acid

External chemical identifiers:
CID:19255, ChEMBL:CHEMBL1917282, ChEBI:76215, FDASRS:PB0234915O, SureChEMBL:SCHEMBL196790

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C32H64O2/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)34/h2-31H2,1H3,(H,33,34)

InChIKey:
ICAIHSUWWZJGHD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids, Unsaturated fatty acids

NP-Likeness score: 0.204

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Chemical structure download