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CHEBI:217105 - Thioamycolamide A

ChEBI IDCHEBI:217105
ChEBI NameThioamycolamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31N3O3S2
Net Charge0
Average Mass449.642
Monoisotopic Mass449.18068
SMILESCCCC[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C2=N[C@H](CS2)C(=O)N[C@H](CO)CS1
InChIInChI=1S/C22H31N3O3S2/c1-2-3-9-17-11-20(27)24-18(10-15-7-5-4-6-8-15)22-25-19(14-30-22)21(28)23-16(12-26)13-29-17/h4-8,16-19,26H,2-3,9-14H2,1H3,(H,23,28)(H,24,27)/t16-,17+,18+,19-/m1/s1
InChIKeyRHPOAKDJUHDCDG-YDZRNGNQSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (32239955)
ChEBI Ontology
Outgoing Relation(s)
Thioamycolamide A (CHEBI:217105) is a azamacrocycle (CHEBI:52898)
Thioamycolamide A (CHEBI:217105) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,4R,7S,11S)-11-benzyl-7-butyl-4-(hydroxymethyl)-6,13-dithia-3,10,15-triazabicyclo[10.2.1]pentadec-12(15)-ene-2,9-dione