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CHEBI:222524 - WIN 67689

ChEBI IDCHEBI:222524
ChEBI NameWIN 67689
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H54N8O9
Net Charge0
Average Mass814.941
Monoisotopic Mass814.40138
SMILESCOc1ccc(C(O)[C@@H]2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3cnc4ccccc34)NC(=O)CNC2=O)cc1CC=C(C)C
InChIInChI=1S/C42H54N8O9/c1-23(2)12-13-25-17-26(14-15-32(25)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-10-7-6-9-28(27)29)42(58)50-16-8-11-31(50)39(55)44-21-34(52)48-36(24(3)4)40(56)45-22-35(53)49-37/h6-7,9-10,12,14-15,17,19,24,30-31,36-38,43,54H,8,11,13,16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t30-,31-,36-,37-,38?/m0/s1
InChIKeyAKYTXQMNKDSGBV-FLCVPYSCSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (7528191)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WIN 67689 (CHEBI:222524) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,9S,15S,21S)-9-[hydroxy-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
8231782ChemSpider