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CHEBI:16324 - rifamycin O

ChEBI IDCHEBI:16324
ChEBI Namerifamycin O
Stars
Secondary ChEBI IDsCHEBI:8860, CHEBI:15054, CHEBI:26579
Last Modified13 November 2017
DownloadsMolfile
FormulaC39H47NO14
Net Charge0
Average Mass753.798
Monoisotopic Mass753.29966
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2(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)C4=O)OCC(=O)O2
InChIInChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1
InChIKeyRAFHKEAPVIWLJC-KQOHHTLASA-N
ChEBI Ontology
Outgoing Relation(s)
rifamycin O (CHEBI:16324) is a rifamycins (CHEBI:26580)
IUPAC Name 
(2'S,12'Z,14'E,16'S,17'S,18'R,19'R,20'R,21'S,22'R,23'S,24'E)-5',17',19'-trihydroxy-23'-methoxy-2',4',12',16',18',20',22'-heptamethyl-1',4,6',11'-tetraoxo-1',2'-dihydro-6'H-spiro[1,3-dioxolane-2,9'-[2,7](epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan]-21'-yl acetate
Synonyms  Source
Rifamycin OKEGG COMPOUND
Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, gamma-lactoneChemIDplus
UniProt Name  Source
rifamycin OUniProt
Manual XrefsDatabases
C01849KEGG COMPOUND
C01849KEGG COMPOUND
LMPK05000004LIPID MAPS
C00018712KNApSAcK
Registry NumbersSources
CAS:14487-05-9KEGG COMPOUND