Metabolomics Structure Database

 
MW REGNO: 69920
Common Name:Phosphoramidon
Systematic Name:(2S)-2-[[(2S)-2-[[hydroxy-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-phosphoryl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
RefMet Name:Phosphoramidon
Synonyms:Phosphoramidon disodium salt; Phosphramidon; Phosporamidon [PubChem Synonyms]
Exact Mass:
543.1982 (neutral)    Calculate m/z:
Formula:C23H34N3O10P
InChIKey:ZPHBZEQOLSRPAK-XLCYBJAPSA-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]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)NP(=O)(O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:445114
HMDB ID:HMDB0256490
KEGG ID:C00563
NP-MRD ID(NMR):NP0021466
Plant Metabolite Hub(Pmhub):MS000009641

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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