Summary

IMPPAT Phytochemical identifier: IMPHY009350

Phytochemical name: 3,12-Dihydroxyhexadecanoic acid

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

External chemical identifiers:
CID:125639, SureChEMBL:SCHEMBL8658956

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Chemical structure information

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

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

InChIKey:
FEIUPFRYFFTGFY-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: 0.969

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Chemical structure download