Summary

IMPPAT Phytochemical identifier: IMPHY010974

Phytochemical name: 10,16-Dihydroxyhexadecanoic acid

Synonymous chemical names:
10,16- dihydroxyhexadecanoic acid, 10,16-dihydroxy hexadecanoic acids, 10,16-dihydroxy-hexadecanoic-acid, 10,16-dihydroxyhexadecanoic acid, hexadecanoic acid, 10,16-dihydroxy

External chemical identifiers:
CID:441449, ChEBI:692, SureChEMBL:SCHEMBL2459399

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Chemical structure information

SMILES:
OCCCCCCC(CCCCCCCCC(=O)O)O

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

InChIKey:
VJZBXAQGWLMYMS-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