CHEBI:222483 - Misaugamycin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Misaugamycin B
ChEBI ID CHEBI:222483
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C62H53Cl3N8O18S
Net Charge 0
Average Mass 1336.550
Monoisotopic Mass 1334.22641
InChI InChI=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)
InChIKey GQTHHACOJGSYPJ-UHFFFAOYSA-N
SMILES ClC1=C(O)C=CC(=C1)C2NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CS(=O)(=O)O)C4=CC(Cl)=C(O)C=C4)CC5=CN(C36C=CC(=O)C(C6)OC7=CC=C(CC(NC2=O)C(=O)NC(C8=CC=C(O)C=C8)C(=O)O)C=C7)C9=C5C=CC=C9)C%10=CC(Cl)=C(O)C=C%10
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 Misaugamycin B (CHEBI:222483) is a polypeptide (CHEBI:15841)