Summary

IMPPAT Phytochemical identifier: IMPHY011700

Phytochemical name: 11-Hydroxyhexadecanoic acid

Synonymous chemical names:
11-hydroxy hexadecanoic acid, 11-hydroxy-hexadecanoic acid, 11-hydroxyhexadecanoic acid, jalapinolic acid

External chemical identifiers:
CID:3013895, SureChEMBL:SCHEMBL316792

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Chemical structure information

SMILES:
CCCCCC(CCCCCCCCCC(=O)O)O

InChI:
InChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)

InChIKey:
YNQGVRJFSHTULP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=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: 0.858

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Chemical structure download