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CHEBI:221805 - Tryptoquivaline K

Default Structure
ChEBI IDCHEBI:221805
ChEBI NameTryptoquivaline K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H20N4O5
Net Charge0
Average Mass456.458
Monoisotopic Mass456.14337
SMILESCC(=O)N1[C@H]2N(C(=O)C13CC3)c1ccccc1[C@]21C[C@@H](n2cnc3ccccc3c2=O)C(=O)O1
InChIInChI=1S/C25H20N4O5/c1-14(30)29-22-25(16-7-3-5-9-18(16)28(22)23(33)24(29)10-11-24)12-19(21(32)34-25)27-13-26-17-8-4-2-6-15(17)20(27)31/h2-9,13,19,22H,10-12H2,1H3/t19-,22-,25-/m1/s1
InChIKeyXCCSYLWRYYKLSU-OPJGWUQDSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1002/ejoc.201201220)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline K (CHEBI:221805) is a α-amino acid ester (CHEBI:46874)
Manual XrefsDatabases
28945524ChemSpider