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CHEBI:207322 - Macrolepiotin

ChEBI IDCHEBI:207322
ChEBI NameMacrolepiotin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H37N3O8
Net Charge0
Average Mass579.650
Monoisotopic Mass579.25807
SMILESCCC(C)C(NC(Cc1c(C(C)C(=O)O)nc2ccccc12)C(=O)Oc1ccc(N2C(=O)CCC2OC)cc1)C(=O)O
InChIInChI=1S/C31H37N3O8/c1-5-17(2)27(30(38)39)33-24(16-22-21-8-6-7-9-23(21)32-28(22)18(3)29(36)37)31(40)42-20-12-10-19(11-13-20)34-25(35)14-15-26(34)41-4/h6-13,17-18,24,26-27,32-33H,5,14-16H2,1-4H3,(H,36,37)(H,38,39)
InChIKeyBBBVQHJSALNJFI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chlorophyllum neomastoideum (ncbitaxon:2172931) - PubMed (19373274)
ChEBI Ontology
Outgoing Relation(s)
Macrolepiotin (CHEBI:207322) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
2-[[3-[2-(1-carboxyethyl)-1H-indol-3-yl]-1-[4-(2-methoxy-5-oxopyrrolidin-1-yl)phenoxy]-1-oxopropan-2-yl]amino]-3-methylpentanoic acid
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28286581ChemSpider