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CHEBI:204395 - N-(lysergyl-isoleucyl)-cyclo(phenylalanyl-prolyl)

ChEBI IDCHEBI:204395
ChEBI NameN-(lysergyl-isoleucyl)-cyclo(phenylalanyl-prolyl)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H41N5O4
Net Charge0
Average Mass607.755
Monoisotopic Mass607.31585
SMILESCCC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4ncc(c34)C[C@H]2N(C)C1)C(=O)N1C(=O)[C@H]2CCCN2C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C36H41N5O4/c1-4-21(2)32(36(45)41-30(16-22-10-6-5-7-11-22)34(43)40-15-9-14-28(40)35(41)44)38-33(42)24-17-26-25-12-8-13-27-31(25)23(19-37-27)18-29(26)39(3)20-24/h5-8,10-13,17,19,21,24,28-30,32,37H,4,9,14-16,18,20H2,1-3H3,(H,38,42)/t21?,24-,28-,29-,30+,32+/m1/s1
InChIKeyVIKMAEPJLMVSMP-KPLDYJOPSA-N
Species of MetaboliteComponentSourceComments
Claviceps purpurea (ncbitaxon:5111) - PubMed (18639312)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-(lysergyl-isoleucyl)-cyclo(phenylalanyl-prolyl) (CHEBI:204395) is a alkaloid (CHEBI:22315)
IUPAC Name 
(6aR,9R)-N-[(2S)-1-[(3S,8aR)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-3-methyl-1-oxopentan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide
Manual XrefsDatabases
78437134ChemSpider