Metabolomics Structure Database

 
MW REGNO: 52629
Common Name:Muramyl dipeptide
Systematic Name:(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
Synonyms:Acetylmuramyl-L-alanyl-D-isoglutamine; Acetylmuramyl-alanyl-isoglutamine; MDP; MurNAc-L-Ala-gamma-D-Glu; N-acetylmuramyl-L-alanyl-D-isoglutamine; N2-(N-(N-Acetylmuramoyl)-L-alanyl)-D-alpha-glutamine [PubChem Synonyms]
Exact Mass:
492.2068 (neutral)    Calculate m/z:
Formula:C19H32N4O11
InChIKey:BSOQXXWZTUDTEL-ZUYCGGNHSA-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:Dipeptides [C0004830]
SMILES:C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O)O[C@H](CO)[C@H]1O)NC(=O)C
Studies:-

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External database links:

PubChem CID:451714
CHEBI ID:59414

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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