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CHEBI:135909 - peplomycin

ChEBI IDCHEBI:135909
ChEBI Namepeplomycin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC61H88N18O21S2
Net Charge0
Average Mass1473.614
Monoisotopic Mass1472.58128
SMILES[H][C@]1(O[C@@H]2[C@H](O[C@@H](c3cncn3)[C@]([H])(NC(=O)c3nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc(N)c3C)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCc3nc(-c4nc(C(=O)NCCCN[C@@H](C)c5ccccc5)cs4)cs3)[C@@H](C)O)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O
InChIInChI=1S/C61H88N18O21S2/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79)/t25-,26-,27+,28+,30-,31-,35-,36+,40-,41-,42-,43+,44+,45-,46-,47-,48-,49-,59+,60-/m0/s1
InChIKeyQIMGFXOHTOXMQP-GFAGFCTOSA-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)
peplomycin (CHEBI:135909) is a glycopeptide (CHEBI:24396)
Synonyms  Source
NK-631DrugCentral
peplomycin sulfateDrugCentral
pepleomycinDrugCentral
Bleomycin PEPDrugCentral
NK631DrugCentral
Manual XrefsDatabases
2965DrugCentral
Registry NumbersSources
CAS:68247-85-8DrugCentral