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CHEBI:142707 - O-(ADP-D-ribosyl)-rifampicin(2−)

ChEBI IDCHEBI:142707
ChEBI NameO-(ADP-D-ribosyl)-rifampicin(2−)
Stars
ASCII NameO-(ADP-D-ribosyl)-rifampicin(2-)
DefinitionO-(ADP-D-ribosyl) derivative of rifampicin; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC58H77N9O25P2
Net Charge-2
Average Mass1362.240
Monoisotopic Mass1361.45168
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(c(/C=N/N5CC[NH+](C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](OC2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C58H79N9O25P2/c1-25-12-11-13-26(2)55(78)64-39-32(20-63-66-17-15-65(9)16-18-66)43(71)36-37(46(39)74)42(70)29(5)51-38(36)52(77)58(8,91-51)84-19-14-33(83-10)27(3)49(87-31(7)68)30(6)50(28(4)41(25)69)90-57-48(76)45(73)35(89-57)22-86-94(81,82)92-93(79,80)85-21-34-44(72)47(75)56(88-34)67-24-62-40-53(59)60-23-61-54(40)67/h11-14,19-20,23-25,27-28,30,33-35,41,44-45,47-50,56-57,69-76H,15-18,21-22H2,1-10H3,(H,64,78)(H,79,80)(H,81,82)(H2,59,60,61)/p-2/b12-11+,19-14+,26-13-,63-20+/t25-,27+,28+,30-,33-,34+,35+,41-,44+,45+,47+,48+,49+,50+,56+,57?,58-/m0/s1
InChIKeyRIPUNFLMNFCKCB-NFDDXSCBSA-L
ChEBI Ontology
Outgoing Relation(s)
O-(ADP-D-ribosyl)-rifampicin(2−) (CHEBI:142707) has functional parent ADP-D-ribose(2−) (CHEBI:57967)
O-(ADP-D-ribosyl)-rifampicin(2−) (CHEBI:142707) has functional parent rifampicin zwitterion (CHEBI:71365)
O-(ADP-D-ribosyl)-rifampicin(2−) (CHEBI:142707) is a rifamycins (CHEBI:26580)
Synonym  Source
O-(ADP-D-ribosyl)-rifampinSUBMITTER
UniProt Name  Source
O-(ADP-D-ribosyl)-rifampicinUniProt
Citations