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CHEBI:202778 - Argyrin D

ChEBI IDCHEBI:202778
ChEBI NameArgyrin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H48N10O8S
Net Charge0
Average Mass852.975
Monoisotopic Mass852.33773
SMILESC=C1NC(=O)[C@@H](CC)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/C42H48N10O8S/c1-7-27-38(56)47-23(4)42(59)52(5)19-35(54)46-22(3)41-51-32(20-61-41)40(58)49-30(15-24-17-43-28-12-9-8-11-25(24)28)39(57)50-31(37(55)44-18-34(53)48-27)16-26-21(2)45-29-13-10-14-33(60-6)36(26)29/h8-14,17,20,22,27,30-31,43,45H,4,7,15-16,18-19H2,1-3,5-6H3,(H,44,55)(H,46,54)(H,47,56)(H,48,53)(H,49,58)(H,50,57)/t22-,27-,30+,31+/m1/s1
InChIKeyYWFWQSOGXWSPNY-RAPHMYFOSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (12195959)
ChEBI Ontology
Outgoing Relation(s)
Argyrin D (CHEBI:202778) is a azamacrocycle (CHEBI:52898)
Argyrin D (CHEBI:202778) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,13R,22R)-13-ethyl-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-2-methyl-1H-indol-3-yl)methyl]-18,22-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
Manual XrefsDatabases
9062666ChemSpider