Summary

IMPPAT Phytochemical identifier: IMPHY004944

Phytochemical name: 28-Hydroxyoctacosanoic acid

Synonymous chemical names:
28-hydroxy-octacosanoic-acid

External chemical identifiers:
CID:5312786, ChEBI:84863, SureChEMBL:SCHEMBL1950996

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C28H56O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h29H,1-27H2,(H,30,31)

InChIKey:
DQDKWDYKDPDWMY-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O, 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 acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.316

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Chemical structure download