Metabolomics Structure Database
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MW REGNO: | 2157 |
Common Name: | DL-3-hydroxy stearic acid |
Systematic Name: | 3-hydroxy-octadecanoic acid |
RefMet Name: | 3-Hydroxystearic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C18H36O3 |
InChIKey: | POMQYTSPMKEQNB-UHFFFAOYSA-N |
LIPID MAPS Category: | Fatty Acyls [FA] |
LIPID MAPS mainclass: | Octadecanoids [FA02] |
LIPID MAPS subclass: | Other Octadecanoids [FA0200] |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | CCCCCCCCCCCCCCCC(CC(=O)O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 5282907 |
LIPID MAPS ID: | LMFA02000121 |
CHEBI ID: | 50578 |
Natural Products Atlas ID: | NP005900 |
NP-MRD ID(NMR): | NP0023408 |
Plant Metabolite Hub(Pmhub): | MS000119562 |
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