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CHEBI:215366 - Argyrin A

ChEBI IDCHEBI:215366
ChEBI NameArgyrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H44N10O8S
Net Charge0
Average Mass824.921
Monoisotopic Mass824.30643
SMILESC=C1NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](Cc2cnc3cccc(OC)c23)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)c2csc(n2)[C@@H](C)NC(=O)CN(C)C1=O
InChIInChI=1S/C40H44N10O8S/c1-20-35(53)46-22(3)40(57)50(4)18-33(52)45-21(2)39-49-30(19-59-39)38(56)48-29(13-23-15-41-26-10-7-6-9-25(23)26)37(55)47-28(36(54)43-17-32(51)44-20)14-24-16-42-27-11-8-12-31(58-5)34(24)27/h6-12,15-16,19-21,28-29,41-42H,3,13-14,17-18H2,1-2,4-5H3,(H,43,54)(H,44,51)(H,45,52)(H,46,53)(H,47,55)(H,48,56)/t20-,21-,28+,29+/m1/s1
InChIKeyMXGWDBFUMHUPTG-SKZNYKRCSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (12195959)
ChEBI Ontology
Outgoing Relation(s)
Argyrin A (CHEBI:215366) is a azamacrocycle (CHEBI:52898)
Argyrin A (CHEBI:215366) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,13R,22R)-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
9279960ChemSpider