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CHEBI:200825 - Blastmycetin A

ChEBI IDCHEBI:200825
ChEBI NameBlastmycetin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46N6O4
Net Charge0
Average Mass614.791
Monoisotopic Mass614.35805
SMILESCC(C)[C@H]1C(=O)N[C@H](CO)Cc2cnc3c(Cc4ccc5c6c(cnc46)C[C@@H](CO)NC(=O)[C@H](C(C)C)N5C)ccc(c23)N1C
InChIInChI=1S/C35H46N6O4/c1-18(2)32-34(44)38-24(16-42)12-22-14-36-30-20(7-9-26(28(22)30)40(32)5)11-21-8-10-27-29-23(15-37-31(21)29)13-25(17-43)39-35(45)33(19(3)4)41(27)6/h7-10,14-15,18-19,24-25,32-33,36-37,42-43H,11-13,16-17H2,1-6H3,(H,38,44)(H,39,45)/t24-,25-,32-,33-/m0/s1
InChIKeyWWTFTXAQTQQCPQ-HXBJNPKNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces blastmyceticus (ncbitaxon:68180) - DOI (10.1271/bbb1961.51.285)
ChEBI Ontology
Outgoing Relation(s)
Blastmycetin A (CHEBI:200825) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(10S,13S)-13-(hydroxymethyl)-5-[[(10S,13S)-13-(hydroxymethyl)-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-5-yl]methyl]-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
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77431524ChemSpider