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CHEBI:220175 - Thiostreptamide S4

ChEBI IDCHEBI:220175
ChEBI NameThiostreptamide S4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H93N14O11S6
Net Charge+1
Average Mass1378.893
Monoisotopic Mass1377.54670
SMILESCCC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@H](C)NC(=S)[C@H](CCSC)NC(=S)[C@@H](NC(=O)C(C)=O)C(C)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](Cc2ccc(OC)cc2)C(=O)N[C@@H](C(O)c2c[n+](C)cn2C)C(=O)NC=CS[C@@H]1C
InChIInChI=1S/C60H92N14O11S6/c1-17-31(6)45(72-57(86)35(10)63-49(77)33(8)64-58(87)40(22-24-90-16)67-59(88)44(30(4)5)69-52(80)36(11)75)60(89)65-34(9)51(79)70-46-37(12)91-25-23-61-54(82)47(48(76)42-27-73(13)28-74(42)14)71-53(81)41(26-38-18-20-39(85-15)21-19-38)66-50(78)32(7)62-55(83)43(29(2)3)68-56(46)84/h18-21,23,25,27-35,37,40-41,43-48,76H,17,22,24,26H2,1-16H3,(H11-,61,62,63,64,65,66,67,68,69,70,71,72,77,78,79,80,81,82,83,84,86,87,88,89)/p+1/t31?,32-,33-,34-,35-,37+,40-,41-,43-,44-,45-,46-,47-,48?/m0/s1
InChIKeyAKETULXCBSMUTF-MYXRQXSUSA-O
Species of MetaboliteComponentSourceComments
Streptomycesspecies NRRL S-4 (ncbitaxon:1519471) - 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 S4 (CHEBI:220175) is a polypeptide (CHEBI:15841)