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CHEBI:217110 - Thioamycolamide B

ChEBI IDCHEBI:217110
ChEBI NameThioamycolamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N3O3S2
Net Charge0
Average Mass435.615
Monoisotopic Mass435.16503
SMILESCCC[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C2=N[C@H](CS2)C(=O)N[C@H](CO)CS1
InChIInChI=1S/C21H29N3O3S2/c1-2-6-16-10-19(26)23-17(9-14-7-4-3-5-8-14)21-24-18(13-29-21)20(27)22-15(11-25)12-28-16/h3-5,7-8,15-18,25H,2,6,9-13H2,1H3,(H,22,27)(H,23,26)/t15-,16+,17+,18-/m1/s1
InChIKeyMUBWWRHSSZSSGP-VSZNYVQBSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (32239955)
ChEBI Ontology
Outgoing Relation(s)
Thioamycolamide B (CHEBI:217110) is a azamacrocycle (CHEBI:52898)
Thioamycolamide B (CHEBI:217110) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,4R,7S,11S)-11-benzyl-4-(hydroxymethyl)-7-propyl-6,13-dithia-3,10,15-triazabicyclo[10.2.1]pentadec-12(15)-ene-2,9-dione