CHEBI:71229 - telavancin

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ChEBI Name telavancin
Definition A glycopeptide that is vancomycin substituted at position N-3'' by a 2-(decylamino)ethyl group and at position C-29 by a (phosphonomethyl)aminomethyl group. Used as its hydrochloride salt for treatment of adults with complicated skin and skin structure infections caused by bacteria.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C80H106Cl2N11O27P
Net Charge 0
Average Mass 1755.63500
Monoisotopic Mass 1753.63743
InChI InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1
SMILES CCCCCCCCCCNCCN[C@@]1(C)C[C@@H](O[C@@H](C)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]3C(=O)N[C@H]4C(=O)N[C@@H]([C@H](O)c5ccc(Oc1cc3c2)c(Cl)c5)C(=O)N[C@H](C(O)=O)c1cc(O)c(CNCP(O)(O)=O)c(O)c1-c1cc4ccc1O
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 telavancin (CHEBI:71229) has functional parent vancomycin (CHEBI:28001)
telavancin (CHEBI:71229) has role antibacterial drug (CHEBI:36047)
telavancin (CHEBI:71229) has role antimicrobial agent (CHEBI:33281)
telavancin (CHEBI:71229) is a glycopeptide (CHEBI:24396)
Incoming telavancin hydrochloride (CHEBI:71226) has part telavancin (CHEBI:71229)
INNs Sources
telavancin ChemIDplus
telavancina WHO MedNet
télavancine WHO MedNet
telavancinum WHO MedNet
Synonym Source
N3''-[2-(decylamino)ethyl]-29-{[(phosphonomethyl)amino]methyl}vancomycin ChemIDplus
Manual Xrefs Databases
4116 DrugCentral
Telavancin Wikipedia
WO2008085913 Patent
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Registry Numbers Types Sources
372151-71-8 CAS Registry Number ChemIDplus
9988046 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017
General Comment
2015-04-23 Telavancin is a member of the class of glycopeptide antibiotics.