Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1730
Common Name:	9-chloro-10-hydroxy-hexadecanoic acid
Systematic Name:	9-chloro-10-hydroxy-hexadecanoic acid
RefMet Name:	9-Chloro-10-hydroxyhexadecanoic acid
Synonyms:	9-Chloro-10-hydroxyhexadecanoic acid [PubChem Synonyms]
Exact Mass:	306.1962 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C16H31ClO3
InChIKey:	YTOQELMVXKVDDX-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Halogenated fatty acids [FA0109]
SMILES:	CCCCCCC(C(CCCCCCCC(=O)O)Cl)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	656826
LIPID MAPS ID:	LMFA01090044
CHEBI ID:	34508
KEGG ID:	C13949

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y