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CHEBI:217117 - Thioamycolamide C

ChEBI IDCHEBI:217117
ChEBI NameThioamycolamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31N3O3S2
Net Charge0
Average Mass449.642
Monoisotopic Mass449.18068
SMILESCC(C)C[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C2=N[C@H](CS2)C(=O)N[C@H](CO)CS1
InChIInChI=1S/C22H31N3O3S2/c1-14(2)8-17-10-20(27)24-18(9-15-6-4-3-5-7-15)22-25-19(13-30-22)21(28)23-16(11-26)12-29-17/h3-7,14,16-19,26H,8-13H2,1-2H3,(H,23,28)(H,24,27)/t16-,17+,18+,19-/m1/s1
InChIKeyMSOTXCHIMQMYDA-YDZRNGNQSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (32239955)
ChEBI Ontology
Outgoing Relation(s)
Thioamycolamide C (CHEBI:217117) is a azamacrocycle (CHEBI:52898)
Thioamycolamide C (CHEBI:217117) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,4R,7S,11S)-11-benzyl-4-(hydroxymethyl)-7-(2-methylpropyl)-6,13-dithia-3,10,15-triazabicyclo[10.2.1]pentadec-12(15)-ene-2,9-dione