Summary

IMPPAT Phytochemical identifier: IMPHY010139

Phytochemical name: 3,12-Dihydroxy-pentadecanoic acid

Synonymous chemical names:
3,12-dihydroxy-pentadecanoic acid

External chemical identifiers:
CID:5312756, ChEBI:168912, SureChEMBL:SCHEMBL8656062

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Chemical structure information

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

InChI:
InChI=1S/C15H30O4/c1-2-9-13(16)10-7-5-3-4-6-8-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)

InChIKey:
FSZLBXAVPUVPDY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=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: 1.148

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Chemical structure download