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CHEBI:45175 - AGLYCON OF PEPLOMYCIN

Default Structure
ChEBI IDCHEBI:45175
ChEBI NameAGLYCON OF PEPLOMYCIN
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC48H67N17O10S2
Net Charge0
Average Mass1106.307
Monoisotopic Mass1105.46982
SMILES[H]O[C@@]([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])(N([H])C(=O)[C@@]([H])(N([H])C(=O)c1nc([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])c1C([H])([H])[H])[C@@]([H])(O[H])c1nc([H])n([H])c1[H])C([H])([H])[H]
InChIInChI=1S/C48H67N17O10S2/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/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)/t23-,24-,25+,26+,28-,29-,36-,37-,38-,39-/m0/s1
InChIKeyRTKDONJKKYUNIT-HJVYYLMSSA-N
ChEBI Ontology
Outgoing Relation(s)
AGLYCON OF PEPLOMYCIN (CHEBI:45175) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-9-hydroxy-5-[(1R)-1-hydroxyethyl]-13-[(R)-hydroxy(1H-imidazol-4-yl)methyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-N-(3-{[(1S)-1-phenylethyl]amino}propyl)-2,4'-bi-1,3-thiazole-4-carboxamide (non-preferred name)PDBeChem
AGLYCON OF PEPLOMYCINPDBeChem
Manual XrefsDatabases
PMYPDBeChem