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CHEBI:209428 - Rifamycinoside A

ChEBI IDCHEBI:209428
ChEBI NameRifamycinoside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53NO16
Net Charge0
Average Mass803.855
Monoisotopic Mass803.33643
SMILESCC(=O)C[C@@H]1OC(=O)c2c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(C)c(O)c3c2C(=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](O)[C@H](C)[C@H]1O)C3=O
InChIInChI=1S/C40H53NO16/c1-14-10-9-11-15(2)38(53)41-22-13-23(43)25-26(34(22)50)32(48)20(7)37(57-40-36(52)35(51)33(49)21(8)55-40)27(25)39(54)56-24(12-16(3)42)31(47)19(6)30(46)18(5)29(45)17(4)28(14)44/h9-11,13-14,17-19,21,24,28-31,33,35-36,40,44-49,51-52H,12H2,1-8H3,(H,41,53)/b10-9+,15-11+/t14-,17+,18+,19-,21-,24-,28-,29+,30-,31+,33-,35+,36+,40-/m0/s1
InChIKeyWUHASDCWRBHQFA-FHIURUHHSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis mediterranei S699 (ncbitaxon:713604) - PubMed (30714736)
ChEBI Ontology
Outgoing Relation(s)
Rifamycinoside A (CHEBI:209428) is a glycoside (CHEBI:24400)
IUPAC Name 
(8S,9R,10S,11S,12R,13R,14R,15S,16S,17E,19E)-2,9,11,13,15-pentahydroxy-3,10,12,14,16,20-hexamethyl-8-(2-oxopropyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-oxa-22-azatricyclo[21.3.1.05,26]heptacosa-1(26),2,4,17,19,23-hexaene-6,21,25,27-tetrone