EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221150 - Pradimicin FB

ChEBI IDCHEBI:221150
ChEBI NamePradimicin FB
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36N2O15
Net Charge0
Average Mass724.672
Monoisotopic Mass724.21157
SMILESCN[C@@H]1[C@H](O)[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/C35H36N2O15/c1-10-5-16-22(28(43)19(10)33(47)37-17(9-38)34(48)49)21-14(27(42)32(16)52-35-31(46)30(45)24(36-3)11(2)51-35)8-15-23(29(21)44)26(41)13-6-12(50-4)7-18(39)20(13)25(15)40/h5-8,11,17,24,27,30-32,35-36,38-39,42-46H,9H2,1-4H3,(H,37,47)(H,48,49)/t11-,17+,24+,27+,30+,31-,32+,35+/m1/s1
InChIKeyYLKHGLQUCDIHFA-RJBVGEQSSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (8478258)
ChEBI Ontology
Outgoing Relation(s)
Pradimicin FB (CHEBI:221150) is a quinone (CHEBI:36141)
Pradimicin FB (CHEBI:221150) is a tetracenes (CHEBI:51270)
IUPAC Name 
(2S)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-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
Manual XrefsDatabases
78442898ChemSpider