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CHEBI:216617 - Tryptoquivaline X

ChEBI IDCHEBI:216617
ChEBI NameTryptoquivaline X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32N4O7
Net Charge0
Average Mass536.585
Monoisotopic Mass536.22710
SMILESCOC(=O)[C@H](C[C@@]1(O)c2ccccc2N2C(=O)C(C)(C)N(O)[C@@H]21)n1c([C@H](O)C(C)C)nc2ccccc2c1=O
InChIInChI=1S/C28H32N4O7/c1-15(2)21(33)22-29-18-12-8-6-10-16(18)23(34)30(22)20(24(35)39-5)14-28(37)17-11-7-9-13-19(17)31-25(28)32(38)27(3,4)26(31)36/h6-13,15,20-21,25,33,37-38H,14H2,1-5H3/t20-,21+,25+,28+/m0/s1
InChIKeyJAFSTXXBKVJEQC-PPEDEVKKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33281236)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline X (CHEBI:216617) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl (2S)-3-[(3aR,4R)-3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl]-2-[2-[(1R)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]propanoate