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CHEBI:47620 - COBALT (III)-DEGLYCOPEPLEOMYCIN

Default Structure
ChEBI IDCHEBI:47620
ChEBI NameCOBALT (III)-DEGLYCOPEPLEOMYCIN
Stars
DownloadsMolfile
FormulaC48H68CoN17O12S2
Net Charge+1
Average Mass1198.246
Monoisotopic Mass1197.40012
SMILES[H]O[O][Co][n+]1c([C@@]([H])(N([H])C([H])([H])[C@@]([H])(C(=O)N([H])[H])N([H])[H])C([H])([H])C(=O)N([H])[H])nc(N([H])[H])c(C([H])([H])[H])c1C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])c1nc(-c2nc(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N([H])[C@]([H])(c3c([H])c([H])c([H])c([H])c3[H])C([H])([H])[H])c([H])s2)c([H])s1)[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])c1nc([H])n([H])c1[H]
InChIInChI=1S/C48H67N17O10S2.Co.H2O2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27;;1-2/h6-8,10-11,18-21,23-26,28-29,36-39,54,57,66,68-69H,9,12-17,49H2,1-5H3,(H2,50,67)(H2,52,70)(H,53,58)(H,55,72)(H,56,73)(H,59,75)(H,63,71)(H,64,74)(H2,51,62,65);;1-2H/q;+2;/p-1/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-;;/m0../s1
InChIKeyZRTJCPBCZBKABC-KKVQSTLKSA-M
ChEBI Ontology
Outgoing Relation(s)
COBALT (III)-DEGLYCOPEPLEOMYCIN (CHEBI:47620) is a unclassifieds (CHEBI:27189)
Synonyms  Source
COBALT (III)-DEGLYCOPEPLEOMYCINPDBeChem
For multi-component charged structures, a total zero charge is required!PDBeChem
Manual XrefsDatabases
PL1PDBeChem