Metabolomics Structure Database

 
MW REGNO: 1292
Common Name:6-hydroxy caproic acid
Systematic Name:6-hydroxy-hexanoic acid
RefMet Name:6-Hydroxycaproic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
132.0786 (neutral)    Calculate m/z:
Formula:C6H12O3
InChIKey:IWHLYPDWHHPVAA-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Hydroxy fatty acids [FA0105]
Massbank MS spectra:View MS spectra
SMILES:OCCCCCC(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:14490
LIPID MAPS ID:LMFA01050015
CHEBI ID:17869
HMDB ID:HMDB0012843
KEGG ID:C06103
Chemspider ID:13835
Plant Metabolite Hub(Pmhub):MS000000844

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

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