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CHEBI:222588 - Argyrin F

ChEBI IDCHEBI:222588
ChEBI NameArgyrin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H44N10O9S
Net Charge0
Average Mass840.920
Monoisotopic Mass840.30134
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](CO)NC(=O)CN(C)C1=O
InChIInChI=1S/C40H44N10O9S/c1-20-35(54)45-21(2)40(58)50(3)17-33(53)46-29(18-51)39-49-30(19-60-39)38(57)48-28(12-22-14-41-25-9-6-5-8-24(22)25)37(56)47-27(36(55)43-16-32(52)44-20)13-23-15-42-26-10-7-11-31(59-4)34(23)26/h5-11,14-15,19-20,27-29,41-42,51H,2,12-13,16-18H2,1,3-4H3,(H,43,55)(H,44,52)(H,45,54)(H,46,53)(H,47,56)(H,48,57)/t20-,27+,28+,29-/m1/s1
InChIKeyFJSMXOTZGJRIEU-GZAHMLPMSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (12195959)
ChEBI Ontology
Outgoing Relation(s)
Argyrin F (CHEBI:222588) is a azamacrocycle (CHEBI:52898)
Argyrin F (CHEBI:222588) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4S,7S,13R,22R)-22-(hydroxymethyl)-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
Manual XrefsDatabases
9258555ChemSpider