Summary

IMPPAT Phytochemical identifier: IMPHY011699

Phytochemical name: 8-Hydroxyhexadecanoic acid

Synonymous chemical names:
8-hydroxy-hexadecanoic-acid, 8-hydroxyhexadecanoic acid

External chemical identifiers:
CID:15569773, SureChEMBL:SCHEMBL708340

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Chemical structure information

SMILES:
CCCCCCCCC(CCCCCCC(=O)O)O

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

InChIKey:
KMEKMXBMYZGGDT-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