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CHEBI:135904 - teicoplanin aglycone

ChEBI IDCHEBI:135904
ChEBI Nameteicoplanin aglycone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC58H45Cl2N7O18
Net Charge0
Average Mass1198.935
Monoisotopic Mass1197.21981
SMILES[H][C@@]12Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@]3([H])NC(=O)[C@]([H])(NC(=O)[C@]4([H])NC(=O)[C@@]([H])(NC1=O)c1cc(O)cc(c1)Oc1cc(ccc1O)[C@@H](N)C(=O)N2)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@]([H])(C(=O)O)NC3=O
InChIInChI=1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44-,45-,46+,47-,48+,49+,50-/m1/s1
InChIKeyDKVBOUDTNWVDEP-NJCHZNEYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
teicoplanin aglycone (CHEBI:135904) is a oligopeptide (CHEBI:25676)
Synonyms  Source
aglucoteicoplaninDrugCentral
teicoplanin aglyconDrugCentral
Antibiotic A 41030BDrugCentral
Manual XrefsDatabases
2580DrugCentral
Registry NumbersSources
CAS:89139-42-4DrugCentral