Summary

IMPPAT Phytochemical identifier: IMPHY004916

Phytochemical name: 4,12-Dihydroxy-pentadecanoic acid

Synonymous chemical names:
4,12-dihydroxy-pentadecanoic acid

External chemical identifiers:
CID:5312758

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Chemical structure information

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

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

InChIKey:
QGZOSDDYSABQFX-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: 1.043

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Chemical structure download