CHEBI:216609 - Tryptoquivaline W

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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 W
ChEBI ID CHEBI:216609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30N4O7
Net Charge 0
Average Mass 522.558
Monoisotopic Mass 522.21145
InChI InChI=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
InChIKey GQBHVJHKFKICMO-HUGNGJMYSA-N
SMILES O=C1N(C(=NC2=C1C=CC=C2)[C@H](O)C(C)C)[C@H](C(=O)O)C[C@@]3(O)C4=C(C=CC=C4)N5[C@@H]3N(O)C(C)(C)C5=O
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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