CHEBI:34948 - Rifamycin S

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Rifamycin S
ChEBI ID CHEBI:34948
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H45NO12
Net Charge 0
Average Mass 695.754
Monoisotopic Mass 695.29418
InChI InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
InChIKey BTVYFIMKUHNOBZ-ODRIEIDWSA-N
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C
ChEBI Ontology
Outgoing Rifamycin S (CHEBI:34948) is a organic molecular entity (CHEBI:50860)
Synonym Source
Rifamycin S KEGG COMPOUND
Manual Xref Database
C14540 KEGG COMPOUND
View more database links
Registry Number Type Source
13553-79-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014