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CHEBI:222483 - Misaugamycin B

ChEBI IDCHEBI:222483
ChEBI NameMisaugamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H53Cl3N8O18S
Net Charge0
Average Mass1336.570
Monoisotopic Mass1334.22641
SMILESO=C(CS(=O)(=O)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/C62H53Cl3N8O18S/c63-38-22-31(9-16-44(38)75)50(68-49(79)28-92(88,89)90)57(82)67-42-25-34-27-73(43-4-2-1-3-37(34)43)62-20-19-47(78)48(26-62)91-36-14-5-29(6-15-36)21-41(55(80)71-53(61(86)87)30-7-12-35(74)13-8-30)66-58(83)51(32-10-17-45(76)39(64)23-32)70-60(85)54(62)72-59(84)52(69-56(42)81)33-11-18-46(77)40(65)24-33/h1-20,22-24,27,41-42,48,50-54,74-77H,21,25-26,28H2,(H,66,83)(H,67,82)(H,68,79)(H,69,81)(H,70,85)(H,71,80)(H,72,84)(H,86,87)(H,88,89,90)
InChIKeyGQTHHACOJGSYPJ-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 B (CHEBI:222483) is a polypeptide (CHEBI:15841)