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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name O-(ADP-D-ribosyl)-rifampicin(2−)
ChEBI ID CHEBI:142707
ChEBI ASCII Name O-(ADP-D-ribosyl)-rifampicin(2-)
Definition O-(ADP-D-ribosyl) derivative of rifampicin; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C58H77N9O25P2
Net Charge -2
Average Mass 1362.227
Monoisotopic Mass 1361.45168
InChI InChI=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
InChIKey RIPUNFLMNFCKCB-NFDDXSCBSA-L
SMILES C12=C(C(=C3O[C@]4(C(C3=C1C(=C(C(=C2O)NC(C(=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](C=CO4)OC)C)OC(C)=O)C)OC5O[C@H](COP(OP(OC[C@H]6O[C@@H](N7C8=C(C(=NC=N8)N)N=C7)[C@@H]([C@@H]6O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]5O)O)C)O)C)C)=O)/C=N/N9CC[NH+](CC9)C)O)=O)C)C)[O-]
ChEBI Ontology
Outgoing 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)
Synonyms Sources
O-(ADP-D-ribosyl)-rifampicin UniProt
O-(ADP-D-ribosyl)-rifampin SUBMITTER
Citations Waiting for Citations Types Sources
18349144 PubMed citation SUBMITTER
30108275 PubMed citation SUBMITTER