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CHEBI:222477 - Misaugamycin A

ChEBI IDCHEBI:222477
ChEBI NameMisaugamycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC63H53Cl3N8O17
Net Charge0
Average Mass1300.515
Monoisotopic Mass1298.25943
SMILESO=C(O)CC(=O)NC(C(=O)NC1Cc2cn(c3ccccc23)C23C=CC(=O)C(C2)Oc2ccc(cc2)CC(C(=O)NC(C(=O)O)c2ccc(O)cc2)NC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C3NC(=O)C(c2ccc(O)c(Cl)c2)NC1=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C63H53Cl3N8O17/c64-38-22-31(9-16-44(38)76)51(69-49(80)26-50(81)82)58(85)68-42-25-34-28-74(43-4-2-1-3-37(34)43)63-20-19-47(79)48(27-63)91-36-14-5-29(6-15-36)21-41(56(83)72-54(62(89)90)30-7-12-35(75)13-8-30)67-59(86)52(32-10-17-45(77)39(65)23-32)71-61(88)55(63)73-60(87)53(70-57(42)84)33-11-18-46(78)40(66)24-33/h1-20,22-24,28,41-42,48,51-55,75-78H,21,25-27H2,(H,67,86)(H,68,85)(H,69,80)(H,70,84)(H,71,88)(H,72,83)(H,73,87)(H,81,82)(H,89,90)
InChIKeyFEXAOEOLIRFCIS-UHFFFAOYSA-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)
Misaugamycin A (CHEBI:222477) is a polypeptide (CHEBI:15841)