Summary

IMPPAT Phytochemical identifier: IMPHY004906

Phytochemical name: 4,12-Dihydroxyhexadecanoic acid

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

External chemical identifiers:
CID:5312760, ChEBI:165408

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Chemical structure information

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

InChI:
InChI=1S/C16H32O4/c1-2-3-9-14(17)10-7-5-4-6-8-11-15(18)12-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)

InChIKey:
QXNNRMXGPQQIRN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=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: 0.869

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Chemical structure download