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CHEBI:45393 - rifamycin CGP 4832

ChEBI IDCHEBI:45393
ChEBI Namerifamycin CGP 4832
Stars
Last Modified5 November 2007
DownloadsMolfile
FormulaC49H65N3O15
Net Charge0
Average Mass936.065
Monoisotopic Mass935.44157
SMILES[H]OC1=C2C(N3C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=C(O[H])[C@@]3([H])C4=C(O[C@](C([H])([H])[H])(O/C([H])=C(\[H])[C@]([H])(OC([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])OC(=O)C([H])([H])C5=C([H])N(C([H])([H])[H])C([H])=C([H])C5([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])/C([H])=C([H])/C([H])=C(/C([H])([H])[H])C(=O)N2[H])C4=O)C(C([H])([H])[H])=C(O[H])[C@]13[H]
InChIInChI=1S/C49H65N3O15/c1-25-12-10-13-26(2)48(61)50-38-39(52-17-20-63-21-18-52)44(59)35-36(43(38)58)42(57)30(6)46-37(35)47(60)49(7,67-46)65-19-15-32(62-9)27(3)45(29(5)41(56)28(4)40(25)55)66-34(54)24-64-33(53)22-31-14-11-16-51(8)23-31/h10-13,15-16,19,23,25,27-29,32,35-36,40-41,45,55-59H,14,17-18,20-22,24H2,1-9H3,(H,50,61)/b12-10+,19-15+,26-13-/t25-,27+,28+,29+,32-,35+,36+,40-,41+,45+,49-/m0/s1
InChIKeyCHVBGOATCBIEAJ-SALGUMESSA-N
ChEBI Ontology
Outgoing Relation(s)
rifamycin CGP 4832 (CHEBI:45393) is a morpholines (CHEBI:38785)
rifamycin CGP 4832 (CHEBI:45393) is a organic heterotetracyclic compound (CHEBI:38163)
Synonyms  Source
RIFAMYCIN CGP 4832PDBeChem
2-oxo-2-{[(2S,5aR,9aR,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-morpholin-4-yl-1,11-dioxo-1,2,5a,9a-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl]oxy}ethyl (1-methyl-1,4-dihydropyridin-3-yl)acetatePDBeChem
Manual XrefsDatabases
RIFPDBeChem