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CHEBI:221156 - Pradimicin FS

ChEBI IDCHEBI:221156
ChEBI NamePradimicin FS
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H46N2O23S
Net Charge0
Average Mass966.877
Monoisotopic Mass966.22121
SMILESCN[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](O)[C@H](O[C@@H]2c3cc(C)c(C(=O)N[C@H](CO)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@H]2O)O[C@@H]1C
InChIInChI=1S/C41H46N2O23S/c1-11-5-17-24(31(51)21(11)38(55)43-18(9-44)39(56)57)23-15(8-16-25(32(23)52)28(48)14-6-13(61-4)7-19(46)22(14)27(16)47)29(49)35(17)64-40-33(53)36(26(42-3)12(2)62-40)65-41-34(54)37(66-67(58,59)60)30(50)20(10-45)63-41/h5-8,12,18,20,26,29-30,33-37,40-42,44-46,49-54H,9-10H2,1-4H3,(H,43,55)(H,56,57)(H,58,59,60)/t12-,18-,20-,26+,29-,30-,33-,34-,35-,36+,37+,40+,41+/m1/s1
InChIKeyNXBPDHXFSCZHOH-QWTDOIRKSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (8478258)
ChEBI Ontology
Outgoing Relation(s)
Pradimicin FS (CHEBI:221156) is a quinone (CHEBI:36141)
Pradimicin FS (CHEBI:221156) is a tetracenes (CHEBI:51270)
IUPAC Name 
(2R)-2-[[(5R,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulooxyoxan-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
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