Preferred Name

dalbavancin

Synonyms

dalbavancin B0

BI 397

dalbavancin

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

database_cross_reference

PMID:25211361

PMID:25229922

PMID:25118105

PMID:25229925

Drug_Central:777

PMID:24897082

PMID:23880168

PMID:25229923

PMID:24939490

KEGG:D03640

PMID:25136251

PMID:25243251

PMID:23414746

PMID:24343828

PMID:24341387

PMID:25229924

CAS:171500-79-1

PMID:23357293

Wikipedia:Dalbavancin

PMID:24608916

PMID:24972854

PMID:22951648

Reaxys:9839185

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.

formula

C88H100Cl2N10O28

has role

http://purl.obolibrary.org/obo/CHEBI_33281

http://purl.obolibrary.org/obo/CHEBI_36047

has_obo_namespace

chebi_ontology

has_related_synonym

dalbavancin B0

BI 397

dalbavancin

BI397

id

CHEBI:82721

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

treeView

http://purl.obolibrary.org/obo/CHEBI_63436

http://purl.obolibrary.org/obo/CHEBI_72588

http://purl.obolibrary.org/obo/CHEBI_24396

http://purl.obolibrary.org/obo/CHEBI_63367

subClassOf

http://purl.obolibrary.org/obo/CHEBI_63436

http://purl.obolibrary.org/obo/CHEBI_72588

http://purl.obolibrary.org/obo/CHEBI_24396

http://purl.obolibrary.org/obo/CHEBI_63367

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_82721 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_82721 INBANCIDO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_82721 COVID-19 SAME_URI
http://purl.obolibrary.org/obo/CHEBI_82721 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_82721 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_82721 CIDO SAME_URI
http://purl.bioontology.org/ontology/ATC/J01XA04 ATC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C116741 NCIT LOOM
http://purl.obolibrary.org/obo/DRON_00750811 INBANCIDO LOOM
http://purl.obolibrary.org/obo/DRON_00750811 CIDO LOOM
http://purl.bioontology.org/ontology/LNC/MTHU018746 LOINC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026050 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/703917001 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/NCIT_C116741 BERO LOOM
http://purl.bioontology.org/ontology/MESH/C469289 MESH LOOM
http://purl.obolibrary.org/obo/ARO_3000466 ARO LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000171775 INBANCIDO LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000171775 CIDO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C469289 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171775 NDFRT LOOM
http://purl.obolibrary.org/obo/CHEBI_82721 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_82721 INBANCIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_82721 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_82721 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_82721 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_82721 CIDO LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000682691 PDQ LOOM
http://purl.bioontology.org/ontology/RXNORM/1539239 RXNORM LOOM
https://go.drugbank.com/drugs/DB06219 MDM LOOM
http://purl.bioontology.org/ontology/LNC/LP35848-8 LOINC LOOM
http://purl.bioontology.org/ontology/VANDF/4025243 VANDF LOOM