CHEBI:204279 - Tryptoquivaline R

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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 Tryptoquivaline R
ChEBI ID CHEBI:204279
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24N4O6
Net Charge 0
Average Mass 464.478
Monoisotopic Mass 464.16958
InChI InChI=1S/C24H24N4O6/c1-23(2)22(31)27-17-11-7-5-9-15(17)24(32,21(27)28(23)33)12-18(20(30)34-3)26-13-25-16-10-6-4-8-14(16)19(26)29/h4-11,13,18,21,32-33H,12H2,1-3H3/t18?,21-,24-/m0/s1
InChIKey PDUNPLZHIQQDAD-ZCAYSAGXSA-N
SMILES O=C1N(C=NC2=C1C=CC=C2)C(C(=O)OC)C[C@]3(O)C4=C(C=CC=C4)N5[C@H]3N(O)C(C)(C)C5=O
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: PubMed
ChEBI Ontology
Outgoing Tryptoquivaline R (CHEBI:204279) is a α-amino acid ester (CHEBI:46874)
IUPAC Name
methyl 3-[(3aS,4S)-3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl]-2-(4-oxoquinazolin-3-yl)propanoate
Manual Xref Database
30770953 ChemSpider
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