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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | telavancin | |
| Synonyms |
telavancine telavancina telavancinum N(3'')-[2-(decylamino)ethyl]-29-{[(phosphonomethyl)amino]methyl}vancomycin telavancin |
|
| Definitions |
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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_71229 |
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| alternative term |
telavancine telavancina telavancinum N(3'')-[2-(decylamino)ethyl]-29-{[(phosphonomethyl)amino]methyl}vancomycin telavancin
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| bearer of | ||
| charge |
0
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|
| database_cross_reference |
PMID:22174040 PMID:22508304 PMID:22619476 Patent:WO2008085913 PMID:22416054 Drug_Central:4116 CAS:372151-71-8 PMID:23030322 Reaxys:9988046 PMID:22547931 PMID:21740298 PMID:22248980 PMID:22123693 PMID:23083812 PMID:18443115 PMID:22575272 PMID:22078909 PMID:22668202 PMID:23129464 PMID:22890759 PMID:22855107 PMID:22867688 PMID:22252799 PMID:22252798 PMID:22491686 PMID:22687502 Wikipedia:Telavancin PMID:22916113 PMID:22411615
|
|
| 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.
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|
| formula |
C80H106Cl2N11O27P
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| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
telavancine telavancina telavancinum N(3'')-[2-(decylamino)ethyl]-29-{[(phosphonomethyl)amino]methyl}vancomycin telavancin
|
|
| id |
CHEBI:71229
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|
| in_subset | ||
| 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
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|
| inchikey |
ONUMZHGUFYIKPM-MXNFEBESSA-N
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|
| label |
telavancin
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|
| mass |
1755.63500
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|
| monoisotopicmass |
1753.63743
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|
| notation |
CHEBI:71229
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|
| prefLabel |
telavancin
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|
| RO_0000087 | ||
| 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
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| subClassOf |
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