CHEBI:83305 - oritavancin bisphosphate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name oritavancin bisphosphate ChEBI ID CHEBI:83305 Definition A phosphate salt obtained by combining oritavancin with two molar equivalents of phosphoric acid. Used for the treatment of acute bacterial skin and skin structure infections caused or suspected to be caused by susceptible isolates of designated Gram-positive microorganisms. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C86H103Cl3N10O34P2 Net Charge 0 Average Mass 1989.09100 Monoisotopic Mass 1986.51790 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 SMILES OP(O)(O)=O.OP(O)(O)=O.CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(NCc3ccc(cc3)-c3ccc(Cl)cc3)[C@@H](O)[C@H](C)O1)c(Cl)c2 Roles Classification Biological Role(s): antibacterial drug A drug used to treat or prevent bacterial infections. Application(s): antibacterial drug A drug used to treat or prevent bacterial infections. View more via ChEBI Ontology ChEBI Ontology Outgoing oritavancin bisphosphate (CHEBI:83305) has part oritavancin (CHEBI:82699) oritavancin bisphosphate (CHEBI:83305) has role antibacterial drug (CHEBI:36047) oritavancin bisphosphate (CHEBI:83305) is a phosphate salt (CHEBI:37853) Synonyms Sources (4''R)-22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N3''-((4'-chloro(1,1'-biphenyl)-4-yl)methyl)vancomycin phosphate(1:2) ChemIDplus LY 333328 diphosphate ChemIDplus LY333328 diphosphate ChemIDplus Oritavancin diphosphate KEGG DRUG oritavancin phosphate ChEBI Brand Name Source Orbactiv ChemIDplus Manual Xrefs Databases D05271 KEGG DRUG Oritavancin Wikipedia View more database links Registry Numbers Types Sources 18507222 Reaxys Registry Number Reaxys 192564-14-0 CAS Registry Number ChemIDplus Citation Type Source 20852166 PubMed citation Europe PMC Last Modified 14 October 2014