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CHEBI:755305 - dalbavancin hydrochloride

Default Structure
ChEBI IDCHEBI:755305
ChEBI Namedalbavancin hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C88H100Cl2N10O28
Net Charge0
Average Mass1853.177
Monoisotopic Mass1850.58524
SMILESCl.[H][C@@]12Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@]3([H])NC(=O)[C@]([H])(NC(=O)[C@]4([H])NC(=O)[C@@]([H])(NC1=O)c1cc(cc(O)c1Cl)Oc1cc(ccc1O)[C@@H](NC)C(=O)N2)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O
InChIInChI=1S/C88H100Cl2N10O28.ClH/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);1H/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+;/m1./s1
InChIKeyPEXPCJWLNBNBNT-AXKGEONOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Application:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
dalbavancin hydrochloride (CHEBI:755305) has role antibacterial agent (CHEBI:33282)
dalbavancin hydrochloride (CHEBI:755305) has role antiinfective agent (CHEBI:35441)
dalbavancin hydrochloride (CHEBI:755305) is a polypeptide (CHEBI:15841)
Synonyms  Source
Dalbavancin hydrochloride (1:1.6)ChEMBL
Dalbavancin hydrochloride (5:8)ChEMBL