Metabolomics Structure Database

 
MW REGNO: 21324
Common Name:Amphotericin B
Systematic Name:(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
RefMet Name:Amphotericin B
Synonyms: [PubChem Synonyms]
Exact Mass:
923.4879 (neutral)    Calculate m/z:
Formula:C47H73NO17
InChIKey:APKFDSVGJQXUKY-INPOYWNPSA-N
LIPID MAPS Category:Polyketides [PK]
LIPID MAPS mainclass:Polyenes [PK06]
MoNA MS spectra:View MS spectra
SMILES:C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@@H](C)[C@H](C)[C@@H]1O)O)O)O)O)O)(O)O2)O)C(=O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](C)O1)O)N)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:5280965
LIPID MAPS ID:LMPK06000002
CHEBI ID:2682
HMDB ID:HMDB0014819
KEGG ID:C06573
Chemspider ID:10237579
EPA CompTox DB:DTXCID20809794
Plant Metabolite Hub(Pmhub):MS000019225

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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