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CHEBI:222059 - Nocathioamide C

ChEBI IDCHEBI:222059
ChEBI NameNocathioamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H74N16O17S4
Net Charge0
Average Mass1347.549
Monoisotopic Mass1346.43007
SMILESC=C1NC(=O)C2CS(=O)CC3NC(=O)C(CS(=O)C(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/C54H74N16O17S4/c1-22(2)12-32-53(83)70-11-9-10-38(70)49(81)66-37-20-91(87)27(7)40(69-51(88)31(14-29-16-55-21-56-29)61-45(77)34-17-89-52(67-34)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)59-47(79)36(65-48(37)80)19-90(86)18-35(64-44(30)76)46(78)58-24(4)42(74)62-32/h16-17,21-23,25-27,30-33,35-38,40H,4,9-15,18-20H2,1-3,5-8H3,(H,55,56)(H,57,71)(H,58,78)(H,59,79)(H,60,82)(H,61,77)(H,62,74)(H,63,75)(H,64,76)(H,65,80)(H,66,81)(H,69,88)(H,84,85)(H,68,72,73)/t23?,25?,26?,27?,30-,31?,32+,33?,35?,36?,37?,38+,40?,90?,91?/m0/s1
InChIKeyBOEABHQIUPWVTL-APSIGOIOSA-N
Species of MetaboliteComponentSourceComments
Nocardia terpenica (ncbitaxon:455432) - PubMed (33991039)
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 C (CHEBI:222059) is a polypeptide (CHEBI:15841)