telavancin (CHEBI:71229)

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CHEBI:71229 - telavancin

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ChEBI ID	CHEBI:71229
ChEBI Name	telavancin
Stars
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.
Last Modified	22 February 2017
Submitter	Steve
Downloads	Molfile

Formula	C80H106Cl2N11O27P
Net Charge	0
Average Mass	1755.658
Monoisotopic Mass	1753.63743
SMILES	CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(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]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O
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
InChIKey	ONUMZHGUFYIKPM-MXNFEBESSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	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:	antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	telavancin hydrochloride (CHEBI:71226) has part telavancin (CHEBI:71229)

INNs	Source
telavancin	ChemIDplus
telavancina	WHO MedNet
télavancine	WHO MedNet
telavancinum	WHO MedNet

Synonym	Source
N^3''-[2-(decylamino)ethyl]-29-{[(phosphonomethyl)amino]methyl}vancomycin	ChemIDplus

Manual Xrefs	Databases
4116	DrugCentral
Telavancin	Wikipedia
WO2008085913	Patent

Registry Numbers	Sources
Reaxys:9988046	Reaxys
CAS:372151-71-8	ChemIDplus

Citations