CHEBI:82699 - oritavancin

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ChEBI Name oritavancin
ChEBI ID CHEBI:82699
Definition A semisynthetic glycopeptide used (as its bisphosphate salt) 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 including MRSA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Toni Morrison
Secondary ChEBI IDs CHEBI:29553
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Formula C86H97Cl3N10O26
Net Charge 0
Average Mass 1793.10100
Monoisotopic Mass 1790.564
InChI InChI=1S/C86H97Cl3N10O26/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/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)/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 VHFGEBVPHAGQPI-LXKZPTCJSA-N
SMILES 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
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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 (CHEBI:82699) has functional parent vancomycin aglycone (CHEBI:47724)
oritavancin (CHEBI:82699) has role antibacterial drug (CHEBI:36047)
oritavancin (CHEBI:82699) has role antimicrobial agent (CHEBI:33281)
oritavancin (CHEBI:82699) is a disaccharide derivative (CHEBI:63353)
oritavancin (CHEBI:82699) is a glycopeptide (CHEBI:24396)
oritavancin (CHEBI:82699) is a semisynthetic derivative (CHEBI:72588)
Incoming oritavancin bisphosphate (CHEBI:83305) has part oritavancin (CHEBI:82699)
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 ChEBI
(4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin ChemIDplus
Chlorobiphenyl-chloroeremomycin KEGG COMPOUND
LY333328 KEGG COMPOUND
Manual Xrefs Databases
4678 DrugCentral
C12034 KEGG COMPOUND
Oritavancin Wikipedia
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Registry Numbers Types Sources
171099-57-3 CAS Registry Number KEGG COMPOUND
171099-57-3 CAS Registry Number ChemIDplus
7608605 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22941898 PubMed citation Europe PMC
23089749 PubMed citation Europe PMC
23261897 PubMed citation Europe PMC
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25118105 PubMed citation Europe PMC
25239268 PubMed citation Europe PMC
25294250 PubMed citation Europe PMC
25294303 PubMed citation Europe PMC
Last Modified
22 February 2017
General Comment
2015-04-23 Oritavancin is a member of the class of glycopeptide antibiotics.