CHEBI:135909 - peplomycin

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ChEBI Name peplomycin ChEBI ID CHEBI:135909 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C61H88N18O21S2 Net Charge 0 Average Mass 1473.594 Monoisotopic Mass 1472.58128 InChI InChI=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 InChIKey QIMGFXOHTOXMQP-GFAGFCTOSA-N SMILES [C@H]([C@](NC(=O)C1=NC(=NC(=C1C)N)[C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)(C(N[C@@H]([C@H]([C@@H](C(N[C@](C(NCCC2=NC(=CS2)C3=NC(=CS3)C(NCCCN[C@@H](C)C4=CC=CC=C4)=O)=O)([C@@H](C)O)[H])=O)C)O)C)=O)[H])(O[C@H]5[C@@H](O[C@@]6([C@@H](O)[C@@H](OC(N)=O)[C@@H]([C@H](O6)CO)O)[H])[C@@H](O)[C@@H]([C@@H](O5)CO)O)C7=CNC=N7 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing peplomycin (CHEBI:135909) is a glycopeptide (CHEBI:24396) Synonyms Sources Bleomycin PEP DrugCentral NK-631 DrugCentral NK631 DrugCentral pepleomycin DrugCentral peplomycin sulfate DrugCentral Manual Xref Database 2965 DrugCentral View more database links Registry Number Type Source 68247-85-8 CAS Registry Number DrugCentral Last Modified 23 February 2017