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CHEBI:223543 - Saframycin S

ChEBI IDCHEBI:223543
ChEBI NameSaframycin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31N3O9
Net Charge0
Average Mass553.568
Monoisotopic Mass553.20603
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](CNC(=O)C(C)=O)N3[C@@H](O)[C@H](C2)N1C
InChIInChI=1S/C28H31N3O9/c1-10-21(33)13-7-15-20-19-14(22(34)11(2)26(40-6)24(19)36)8-16(30(20)4)28(38)31(15)17(9-29-27(37)12(3)32)18(13)23(35)25(10)39-5/h15-17,20,28,38H,7-9H2,1-6H3,(H,29,37)/t15-,16-,17-,20-,28-/m0/s1
InChIKeyFKBKETJRCKZDAM-TVWJAPESSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7440416)
ChEBI Ontology
Outgoing Relation(s)
Saframycin S (CHEBI:223543) is a isoquinolines (CHEBI:24922)
IUPAC Name 
N-[[(1R,2S,10R,12S,13S)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide
Manual XrefsDatabases
58837695ChemSpider