loading...| Preferred Name |
dalbavancin |
|
| Synonyms |
dalbavancin B0 dalbavancin BI 397 BI397 |
|
| Definitions |
A semisynthetic glycopeptide 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 including MRSA. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82721 |
|
| charge |
0 |
|
| chemical inhibits in vitro invasion of virus | ||
| database_cross_reference |
PMID:25243251 PMID:23880168 PMID:22951648 PMID:24608916 Wikipedia:Dalbavancin PMID:25229922 PMID:25229923 PMID:25229925 PMID:25229924 Drug_Central:777 PMID:24972854 PMID:25211361 Reaxys:9839185 PMID:24343828 PMID:25118105 KEGG:D03640 PMID:25136251 PMID:24341387 PMID:24897082 PMID:24939490 PMID:23414746 PMID:23357293 CAS:171500-79-1 |
|
| definition source |
PMID: 26953343; PMID: 28855003; PMID: 16081529 |
|
| formula |
C88H100Cl2N10O28 |
|
| has role | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
dalbavancin B0 dalbavancin BI 397 BI397 |
|
| id |
CHEBI:82721 |
|
| imported from | ||
| in subset | ||
| inchi |
InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1 |
|
| inchikey |
KGPGQDLTDHGEGT-SZUNQUCBSA-N |
|
| label |
dalbavancin |
|
| mass |
1816.69200 |
|
| monoisotopicmass |
1814.60856 |
|
| notation |
CHEBI:82721 |
|
| prefLabel |
dalbavancin |
|
| smiles |
CN[C@@H]1c2ccc(O)c(Oc3cc(O)c(Cl)c(c3)[C@@H]3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)-c3c(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)cc(O)cc3[C@H](NC7=O)C(=O)NCCCN(C)C)c5O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)C(O)=O)cc4)NC1=O)c2 |
|
| textual definition |
A semisynthetic glycopeptide 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 including MRSA. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_63436 http://purl.obolibrary.org/obo/CHEBI_72588 |
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