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CHEBI:221171 - Pradimicin L

ChEBI IDCHEBI:221171
ChEBI NamePradimicin L
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H46N2O19
Net Charge0
Average Mass870.814
Monoisotopic Mass870.26948
SMILESCN[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@@H]2c3cc(C)c(C(=O)N[C@H](C)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/C41H46N2O19/c1-11-6-18-24(31(50)21(11)38(55)43-12(2)39(56)57)23-16(9-17-25(32(23)51)28(47)15-7-14(58-5)8-19(45)22(15)27(17)46)29(48)36(18)61-41-35(54)37(26(42-4)13(3)59-41)62-40-34(53)33(52)30(49)20(10-44)60-40/h6-9,12-13,20,26,29-30,33-37,40-42,44-45,48-54H,10H2,1-5H3,(H,43,55)(H,56,57)/t12-,13+,20-,26+,29+,30+,33+,34+,35-,36-,37+,40+,41+/m1/s1
InChIKeyGHJAVLVTKGUJCU-DCPRIWAJSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (8478257)
ChEBI Ontology
Outgoing Relation(s)
Pradimicin L (CHEBI:221171) is a quinone (CHEBI:36141)
Pradimicin L (CHEBI:221171) is a tetracenes (CHEBI:51270)
IUPAC Name 
(2R)-2-[[(5R,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
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