Summary

IMPPAT Phytochemical identifier: IMPHY014051

Phytochemical name: 9-Hydroxy-dodecanoic acid

Synonymous chemical names:
9-hydroxydodecanoic acid

External chemical identifiers:
CID:5312744, ChEMBL:CHEMBL4288021, ChEBI:167568, SureChEMBL:SCHEMBL1881322

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Chemical structure information

SMILES:
CCCC(CCCCCCCC(=O)O)O

InChI:
InChI=1S/C12H24O3/c1-2-8-11(13)9-6-4-3-5-7-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)

InChIKey:
XKNUGGWMUJBFJT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)O)))))))))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Medium-chain hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.224

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Chemical structure download