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CHEBI:205472 - Dendroamide B

ChEBI IDCHEBI:205472
ChEBI NameDendroamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N6O4S3
Net Charge0
Average Mass520.662
Monoisotopic Mass520.10212
SMILESCSCC[C@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2
InChIInChI=1S/C21H24N6O4S3/c1-9-19-27-15(11(3)31-19)18(30)23-10(2)20-25-14(7-33-20)17(29)24-12(5-6-32-4)21-26-13(8-34-21)16(28)22-9/h7-10,12H,5-6H2,1-4H3,(H,22,28)(H,23,30)(H,24,29)/t9-,10-,12-/m1/s1
InChIKeyAERWTVOXUHXGAE-CKYFFXLPSA-N
Species of MetaboliteComponentSourceComments
Stigonema (ncbitaxon:221292) - PubMed (8786364)
ChEBI Ontology
Outgoing Relation(s)
Dendroamide B (CHEBI:205472) is a azamacrocycle (CHEBI:52898)
Dendroamide B (CHEBI:205472) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4R,11R,18R)-4,7,11-trimethyl-18-(2-methylsulanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Manual XrefsDatabases
10200269ChemSpider