Summary

IMPPAT Phytochemical identifier: IMPHY007430

Phytochemical name: 2-Hydroxyhexadecanoic acid

Synonymous chemical names:
2-hydroxyhexadecanoic acid, palmitic acid, 2-hydroxy

External chemical identifiers:
CID:92836, ChEBI:65101, FDASRS:B5R9PI06KD, SureChEMBL:SCHEMBL22842, MolPort-001-783-382

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(C(=O)O)O

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

InChIKey:
JGHSBPIZNUXPLA-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: 0.826

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Chemical structure download