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CHEBI:222055 - Nocathioamide B

ChEBI IDCHEBI:222055
ChEBI NameNocathioamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H74N16O16S4
Net Charge0
Average Mass1331.550
Monoisotopic Mass1330.43515
SMILESC=C1NC(=O)C2CS(=O)CC3NC(=O)C(CSC(C)C(NC(=S)C(Cc4cncn4)NC(=O)c4csc(C(C)NC(C)=O)n4)C(=O)N[C@@H](CC(C)C(=O)NC(=O)CC(C(=O)O)NC(=O)C(C)NC3=O)C(=O)N2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C54H74N16O16S4/c1-22(2)12-32-53(83)70-11-9-10-38(70)49(81)64-34-17-88-27(7)40(69-51(87)31(14-29-16-55-21-56-29)61-46(78)35-18-89-52(67-35)26(6)57-28(8)71)50(82)60-30-13-23(3)41(73)68-39(72)15-33(54(84)85)63-43(75)25(5)59-48(80)37(66-45(34)77)20-90(86)19-36(65-44(30)76)47(79)58-24(4)42(74)62-32/h16,18,21-23,25-27,30-34,36-38,40H,4,9-15,17,19-20H2,1-3,5-8H3,(H,55,56)(H,57,71)(H,58,79)(H,59,80)(H,60,82)(H,61,78)(H,62,74)(H,63,75)(H,64,81)(H,65,76)(H,66,77)(H,69,87)(H,84,85)(H,68,72,73)/t23?,25?,26?,27?,30-,31?,32+,33?,34?,36?,37?,38+,40?,90?/m0/s1
InChIKeyUQFXGTJCWIXDFU-IPWOMRNJSA-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)
Nocathioamide B (CHEBI:222055) is a polypeptide (CHEBI:15841)