EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220180 - Thiostreptamide S87

ChEBI IDCHEBI:220180
ChEBI NameThiostreptamide S87
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H85N14O10S6
Net Charge+1
Average Mass1306.786
Monoisotopic Mass1305.48919
SMILESCSCC[C@H](NC(=S)[C@@H](NC(=O)C(C)=O)C(C)C)C(=S)N[C@@H](C)C(=O)N[C@@H](C)C(=S)N[C@@H](C)C(=S)N[C@@H](C)C(=O)N[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)c2c[n+](C)cn2C)C(=O)NC=CS[C@@H]1C
InChIInChI=1S/C56H84N14O10S6/c1-27(2)40-51(79)58-29(5)46(74)63-38(24-36-18-16-15-17-19-36)49(77)68-43(44(72)39-25-69(12)26-70(39)13)50(78)57-21-23-86-35(11)42(52(80)65-40)67-47(75)31(7)60-54(82)33(9)62-53(81)32(8)59-45(73)30(6)61-55(83)37(20-22-85-14)64-56(84)41(28(3)4)66-48(76)34(10)71/h15-19,21,23,25-33,35,37-38,40-44,72H,20,22,24H2,1-14H3,(H11-,57,58,59,60,61,62,63,64,65,66,67,68,73,74,75,76,77,78,79,80,81,82,83,84)/p+1/t29-,30-,31-,32-,33-,35+,37-,38-,40-,41-,42-,43-,44?/m0/s1
InChIKeyFRMXVRMEEBFTBC-IPWIQGSCSA-O
Species of MetaboliteComponentSourceComments
Streptomycesspecies NRRL S-87 (ncbitaxon:1463920) - PubMed (28968491)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thiostreptamide S87 (CHEBI:220180) is a polypeptide (CHEBI:15841)