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CHEBI:202749 - Argyrin G

ChEBI IDCHEBI:202749
ChEBI NameArgyrin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H46N10O9S
Net Charge0
Average Mass854.947
Monoisotopic Mass854.31699
SMILESC=C1NC(=O)[C@@H](CC)NC(=O)CNC(=O)[C@H](Cc2cnc3cccc(OC)c23)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)c2csc(n2)[C@@H](CO)NC(=O)CN(C)C1=O
InChIInChI=1S/C41H46N10O9S/c1-5-25-37(56)45-21(2)41(59)51(3)18-34(54)47-30(19-52)40-50-31(20-61-40)39(58)49-29(13-22-15-42-26-10-7-6-9-24(22)26)38(57)48-28(36(55)44-17-33(53)46-25)14-23-16-43-27-11-8-12-32(60-4)35(23)27/h6-12,15-16,20,25,28-30,42-43,52H,2,5,13-14,17-19H2,1,3-4H3,(H,44,55)(H,45,56)(H,46,53)(H,47,54)(H,48,57)(H,49,58)/t25-,28+,29+,30-/m1/s1
InChIKeyJPZANUPQKYWILL-ZBBWKFRYSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (12195959)
ChEBI Ontology
Outgoing Relation(s)
Argyrin G (CHEBI:202749) is a azamacrocycle (CHEBI:52898)
Argyrin G (CHEBI:202749) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,13R,22R)-13-ethyl-22-(hydroxymethyl)-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-18-methyl-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
9204436ChemSpider