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CHEBI:217122 - Thioamycolamide D

ChEBI IDCHEBI:217122
ChEBI NameThioamycolamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33N3O3S2
Net Charge0
Average Mass463.669
Monoisotopic Mass463.19633
SMILESCC(C)CC[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C2=N[C@H](CS2)C(=O)N[C@H](CO)CS1
InChIInChI=1S/C23H33N3O3S2/c1-15(2)8-9-18-11-21(28)25-19(10-16-6-4-3-5-7-16)23-26-20(14-31-23)22(29)24-17(12-27)13-30-18/h3-7,15,17-20,27H,8-14H2,1-2H3,(H,24,29)(H,25,28)/t17-,18+,19+,20-/m1/s1
InChIKeyVYOOQILVKNHMFC-FUMNGEBKSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (32239955)
ChEBI Ontology
Outgoing Relation(s)
Thioamycolamide D (CHEBI:217122) is a azamacrocycle (CHEBI:52898)
Thioamycolamide D (CHEBI:217122) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,4R,7S,11S)-11-benzyl-4-(hydroxymethyl)-7-(3-methylbutyl)-6,13-dithia-3,10,15-triazabicyclo[10.2.1]pentadec-12(15)-ene-2,9-dione