EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216609 - Tryptoquivaline W

ChEBI IDCHEBI:216609
ChEBI NameTryptoquivaline W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30N4O7
Net Charge0
Average Mass522.558
Monoisotopic Mass522.21145
SMILESCC(C)[C@@H](O)c1nc2ccccc2c(=O)n1[C@@H](C[C@@]1(O)c2ccccc2N2C(=O)C(C)(C)N(O)[C@@H]21)C(=O)O
InChIInChI=1S/C27H30N4O7/c1-14(2)20(32)21-28-17-11-7-5-9-15(17)22(33)29(21)19(23(34)35)13-27(37)16-10-6-8-12-18(16)30-24(27)31(38)26(3,4)25(30)36/h5-12,14,19-20,24,32,37-38H,13H2,1-4H3,(H,34,35)/t19-,20+,24+,27+/m0/s1
InChIKeyGQBHVJHKFKICMO-HUGNGJMYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33281236)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline W (CHEBI:216609) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(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]propanoic acid