CHEBI:219598 - Saframycin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Saframycin B
ChEBI ID CHEBI:219598
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H31N3O8
Net Charge 0
Average Mass 537.569
Monoisotopic Mass 537.21111
InChI InChI=1S/C28H31N3O8/c1-11-22(33)15-7-14-10-31-17(21(30(14)4)20(15)25(36)27(11)39-6)8-16-19(18(31)9-29-28(37)13(3)32)24(35)26(38-5)12(2)23(16)34/h14,17-18,21H,7-10H2,1-6H3,(H,29,37)/t14-,17+,18+,21-/m1/s1
InChIKey KOHPLTGVBZMVDW-BBTHKVSRSA-N
SMILES O=C1C(OC)=C(C(=O)C2=C1[C@@H]3N(C)[C@H](C2)CN4[C@H]3CC=5C(=O)C(C)=C(C(C5[C@@H]4CNC(=O)C(=O)C)=O)OC)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Saframycin B (CHEBI:219598) is a isoquinolines (CHEBI:24922)
IUPAC Name
N-[[(1S,2S,10R,13R)-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 Xref Database
21254103 ChemSpider
View more database links