Metabolomics Structure Database

 
MW REGNO: 50624
Common Name:Pantetheine
Systematic Name:(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
RefMet Name:Pantetheine
Synonyms:(R)-pantetheine; D-Pantetheine; Lactobacillus bulgaricus factor [PubChem Synonyms]
Exact Mass:
278.1300 (neutral)    Calculate m/z:
Formula:C11H22N2O4S
InChIKey:ZNXZGRMVNNHPCA-VIFPVBQESA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Beta amino acids and derivatives [C0001878]
SMILES:CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:439322
CHEBI ID:16753
HMDB ID:HMDB0003426
KEGG ID:C00831
MetaCyc ID:CPD-511
Plant Metabolite Hub(Pmhub):MS000016551

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

  logo