CHEBI:221622 - N-prenyl-cyclo-L-tryptophyl-L-proline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-prenyl-cyclo-L-tryptophyl-L-proline
ChEBI ID CHEBI:221622
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O2
Net Charge 0
Average Mass 351.450
Monoisotopic Mass 351.19468
InChI InChI=1S/C21H25N3O2/c1-14(2)9-11-23-13-15(16-6-3-4-7-18(16)23)12-17-21(26)24-10-5-8-19(24)20(25)22-17/h3-4,6-7,9,13,17,19H,5,8,10-12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1
InChIKey UHDXIZKDEGWFRD-HKUYNNGSSA-N
SMILES O=C1N2[C@H](C(=O)N[C@H]1CC=3C4=C(C=CC=C4)N(C3)CC=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing N-prenyl-cyclo-L-tryptophyl-L-proline (CHEBI:221622) has functional parent α-amino acid (CHEBI:33704)
N-prenyl-cyclo-L-tryptophyl-L-proline (CHEBI:221622) is a organonitrogen compound (CHEBI:35352)
N-prenyl-cyclo-L-tryptophyl-L-proline (CHEBI:221622) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,8aS)-3-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Manual Xref Database
78438225 ChemSpider
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