Summary

IMPPAT Phytochemical identifier: IMPHY005539

Phytochemical name: 3,11-Dihydroxy myristoic acid

Synonymous chemical names:
3,11-dihydroxy myristoic acid, ipurolic acid

External chemical identifiers:
CID:5282923, SureChEMBL:SCHEMBL476494

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Chemical structure information

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

InChI:
InChI=1S/C14H28O4/c1-2-8-12(15)9-6-4-3-5-7-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)

InChIKey:
AVKYODWULTZQPQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)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: 1.212

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Chemical structure download