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CHEBI:200289 - Argyrin E

ChEBI IDCHEBI:200289
ChEBI NameArgyrin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H42N10O8S
Net Charge0
Average Mass810.894
Monoisotopic Mass810.29078
SMILESC=C1NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](Cc2cnc3cccc(OC)c23)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)c2csc(n2)CNC(=O)CN(C)C1=O
InChIInChI=1S/C39H42N10O8S/c1-20-35(52)45-21(2)39(56)49(3)18-32(51)42-17-33-46-29(19-58-33)38(55)48-28(12-22-14-40-25-9-6-5-8-24(22)25)37(54)47-27(36(53)43-16-31(50)44-20)13-23-15-41-26-10-7-11-30(57-4)34(23)26/h5-11,14-15,19-20,27-28,40-41H,2,12-13,16-18H2,1,3-4H3,(H,42,51)(H,43,53)(H,44,50)(H,45,52)(H,47,54)(H,48,55)/t20-,27+,28+/m1/s1
InChIKeyIVTXVXMGLJEYAA-ANFLZCCJSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (12195959)
ChEBI Ontology
Outgoing Relation(s)
Argyrin E (CHEBI:200289) is a azamacrocycle (CHEBI:52898)
Argyrin E (CHEBI:200289) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,13R)-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-13,18-dimethyl-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
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9279929ChemSpider