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CHEBI:212918 - Argyrin C

ChEBI IDCHEBI:212918
ChEBI NameArgyrin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H46N10O8S
Net Charge0
Average Mass838.948
Monoisotopic Mass838.32208
SMILESC=C1NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](Cc2c(C)nc3cccc(OC)c23)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)c2csc(n2)[C@@H](C)NC(=O)CN(C)C1=O
InChIInChI=1S/C41H46N10O8S/c1-20-26(35-28(44-20)12-9-13-32(35)59-6)15-30-37(55)43-17-33(52)45-21(2)36(54)47-23(4)41(58)51(5)18-34(53)46-22(3)40-50-31(19-60-40)39(57)48-29(38(56)49-30)14-24-16-42-27-11-8-7-10-25(24)27/h7-13,16,19,21-22,29-30,42,44H,4,14-15,17-18H2,1-3,5-6H3,(H,43,55)(H,45,52)(H,46,53)(H,47,54)(H,48,57)(H,49,56)/t21-,22-,29+,30+/m1/s1
InChIKeyYCCLYOWBNOMWGI-UFDDTGEXSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (12195959)
ChEBI Ontology
Outgoing Relation(s)
Argyrin C (CHEBI:212918) is a azamacrocycle (CHEBI:52898)
Argyrin C (CHEBI:212918) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,13R,22R)-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-2-methyl-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
9051884ChemSpider