Summary

IMPPAT Phytochemical identifier: IMPHY005578

Phytochemical name: 22-Hydroxydocosanoic acid

Synonymous chemical names:
22-hydroxy-docosanoic-acid, 22-hydroxydocosanoic acid, phellonic acid

External chemical identifiers:
CID:5282922, ChEBI:76322, ZINC:ZINC000014449065, SureChEMBL:SCHEMBL150882, MolPort-046-426-544

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)

InChIKey:
IBPVZXPSTLXWCG-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCC=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: 0.391

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Chemical structure download