Summary

IMPPAT Phytochemical identifier: IMPHY011211

Phytochemical name: 9,16-Dihydroxyhexadecanoic acid

Synonymous chemical names:
9,16-dihydroxyhexadecanoic acid

External chemical identifiers:
CID:14259006, SureChEMBL:SCHEMBL6838371

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Chemical structure information

SMILES:
OCCCCCCCC(CCCCCCCC(=O)O)O

InChI:
InChI=1S/C16H32O4/c17-14-10-6-2-4-8-12-15(18)11-7-3-1-5-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)

InChIKey:
XSIHTLJPWOWWPE-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCC=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: 0.957

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Chemical structure download