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CHEBI:221612 - Pradimicin D

ChEBI IDCHEBI:221612
ChEBI NamePradimicin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H42N2O18
Net Charge0
Average Mass826.761
Monoisotopic Mass826.24326
SMILESCNC1C(C)OC(O[C@H]2c3cc(C)c(C(=O)NCC(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@@H]2O)C(O)C1OC1OCC(O)C(O)C1O
InChIInChI=1S/C39H42N2O18/c1-11-5-17-24(31(50)21(11)37(54)41-9-20(44)45)23-15(8-16-25(32(23)51)28(47)14-6-13(55-4)7-18(42)22(14)27(16)46)29(48)35(17)58-39-34(53)36(26(40-3)12(2)57-39)59-38-33(52)30(49)19(43)10-56-38/h5-8,12,19,26,29-30,33-36,38-40,42-43,48-53H,9-10H2,1-4H3,(H,41,54)(H,44,45)/t12?,19?,26?,29-,30?,33?,34?,35-,36?,38?,39?/m0/s1
InChIKeyXTZUCVXVWVTYDG-DZCOGEEISA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (2387770)
ChEBI Ontology
Outgoing Relation(s)
Pradimicin D (CHEBI:221612) is a quinone (CHEBI:36141)
Pradimicin D (CHEBI:221612) is a tetracenes (CHEBI:51270)
IUPAC Name 
2-[[(5S,6S)-1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid