EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224425 - 7-hydroxypradimicin A

ChEBI IDCHEBI:224425
ChEBI Name7-hydroxypradimicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H44N2O19
Net Charge0
Average Mass856.787
Monoisotopic Mass856.25383
SMILESCN[C@@H]1[C@H](O[C@@H]2OC[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(O)c4c(c(O)c3[C@@H]2O)C(=O)c2c(O)cc(OC)cc2C4=O)O[C@@H]1C
InChIInChI=1S/C40H44N2O19/c1-10-6-15-20(28(47)18(10)37(54)42-11(2)38(55)56)21-22(31(50)24-23(30(21)49)26(45)14-7-13(57-5)8-16(43)19(14)29(24)48)32(51)35(15)60-40-34(53)36(25(41-4)12(3)59-40)61-39-33(52)27(46)17(44)9-58-39/h6-8,11-12,17,25,27,32-36,39-41,43-44,46-47,49-53H,9H2,1-5H3,(H,42,54)(H,55,56)/t11-,12-,17-,25+,27+,32+,33-,34-,35+,36+,39+,40+/m1/s1
InChIKeyVBTCKXSLQWDWIM-DJJKLISESA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (8478259)
ChEBI Ontology
Outgoing Relation(s)
7-hydroxypradimicin A (CHEBI:224425) is a quinone (CHEBI:36141)
7-hydroxypradimicin A (CHEBI:224425) is a tetracenes (CHEBI:51270)
IUPAC Name 
(2R)-2-[[(5S,6S)-1,6,7,9,14-pentahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-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]propanoic acid
Manual XrefsDatabases
8593556ChemSpider