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CHEBI:756300 - oritavancin diphosphate
| Formula | H3O4P.C86H97Cl3N10O26.H3O4P |
| Net Charge | 0 |
| Average Mass | 1989.113 |
| Monoisotopic Mass | 1986.51790 |
| SMILES | O=P(O)(O)O.O=P(O)(O)O.[H][C@@]12NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c3ccc(c(Cl)c3)Oc3cc1cc(c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O1)Oc1ccc(cc1Cl)[C@@H](O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)[C@]1([H])NC(=O)[C@]([H])(NC2=O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2[C@@H](C(=O)O)NC1=O |
| InChI | InChI=1S/C86H97Cl3N10O26.2H3O4P/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114;2*1-5(2,3)4/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117);2*(H3,1,2,3,4)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-;;/m0../s1 |
| InChIKey | PWTROOMOPLCZHB-BHYQHFGMSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oritavancin diphosphate (CHEBI:756300) has role anti-inflammatory agent (CHEBI:67079) |
| oritavancin diphosphate (CHEBI:756300) has role antibacterial agent (CHEBI:33282) |
| oritavancin diphosphate (CHEBI:756300) has role antiinfective agent (CHEBI:35441) |
| oritavancin diphosphate (CHEBI:756300) is a polypeptide (CHEBI:15841) |
| Synonyms | Source |
|---|---|
| LY-333328 DIPHOSPHATE | ChEMBL |
| Nuvocid | ChEMBL |
| Brand Names | Source |
|---|---|
| Kimyrsa | ChEMBL |
| Tenkasi (previously orbactiv) | ChEMBL |