CHEBI:219602 - Saframycin C

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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 C
ChEBI ID CHEBI:219602
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H33N3O9
Net Charge 0
Average Mass 567.595
Monoisotopic Mass 567.22168
InChI InChI=1S/C29H33N3O9/c1-11-22(34)14-8-15-21-19-20(23(35)12(2)27(40-6)25(19)37)28(41-7)17(31(21)4)10-32(15)16(9-30-29(38)13(3)33)18(14)24(36)26(11)39-5/h15-17,21,28H,8-10H2,1-7H3,(H,30,38)/t15-,16-,17+,21-,28+/m0/s1
InChIKey JIJFDUYXCLTCFT-FZLBTGRLSA-N
SMILES O=C1C(OC)=C(C(=O)C2=C1[C@H]3N(C)[C@@H]([C@H]2OC)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 C (CHEBI:219602) is a isoquinolines (CHEBI:24922)
IUPAC Name
2-oxo-N-[[(1R,2S,10R,13R,14S)-7,14,18-trimethoxy-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]propanamide
Manual Xref Database
10379111 ChemSpider
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