EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217128 - Thioamycolamide E

ChEBI IDCHEBI:217128
ChEBI NameThioamycolamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33N3O4S2
Net Charge0
Average Mass479.668
Monoisotopic Mass479.19125
SMILESCC(C)(O)CC[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C2=N[C@H](CS2)C(=O)N[C@H](CO)CS1
InChIInChI=1S/C23H33N3O4S2/c1-23(2,30)9-8-17-11-20(28)25-18(10-15-6-4-3-5-7-15)22-26-19(14-32-22)21(29)24-16(12-27)13-31-17/h3-7,16-19,27,30H,8-14H2,1-2H3,(H,24,29)(H,25,28)/t16-,17+,18+,19-/m1/s1
InChIKeyMTQXEOQBCRZALD-YDZRNGNQSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (32239955)
ChEBI Ontology
Outgoing Relation(s)
Thioamycolamide E (CHEBI:217128) is a azamacrocycle (CHEBI:52898)
Thioamycolamide E (CHEBI:217128) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,4R,7S,11S)-11-benzyl-4-(hydroxymethyl)-7-(3-hydroxy-3-methylbutyl)-6,13-dithia-3,10,15-triazabicyclo[10.2.1]pentadec-12(15)-ene-2,9-dione