Summary

IMPPAT Phytochemical identifier: IMPHY007081

Phytochemical name: 11-Hydroxyicosanoic acid

Synonymous chemical names:
11-hydroxyicosanoic acid

External chemical identifiers:
CID:85774561

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Chemical structure information

SMILES:
CCCCCCCCCC(CCCCCCCCCC(=O)O)O

InChI:
InChI=1S/C20H40O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)

InChIKey:
VVZQUDLVSVTHGK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)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: 0.709

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Chemical structure download