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CHEBI:201878 - WIN 66306

ChEBI IDCHEBI:201878
ChEBI NameWIN 66306
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H52N8O9
Net Charge0
Average Mass800.914
Monoisotopic Mass800.38573
SMILESCC(C)=CCc1cc(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)ccc1O
InChIInChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30-,35-,36-,37?/m0/s1
InChIKeyBNPYZZVTLFIGQT-VUPYCZGQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - 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 66306 (CHEBI:201878) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,9S,15S,21S)-9-[hydroxy-[4-hydroxy-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
8072891ChemSpider