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CHEBI:202684 - Tryptoquivaline S

ChEBI IDCHEBI:202684
ChEBI NameTryptoquivaline S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N4O8
Net Charge0
Average Mass554.600
Monoisotopic Mass554.23766
SMILESCOC(=O)C(C[C@]1(O)c2ccccc2N2C(=O)C(C)(C)N(O)[C@H]21)NC(=O)c1ccccc1NC(=O)C(O)C(C)C
InChIInChI=1S/C28H34N4O8/c1-15(2)21(33)23(35)29-18-12-8-6-10-16(18)22(34)30-19(24(36)40-5)14-28(38)17-11-7-9-13-20(17)31-25(28)32(39)27(3,4)26(31)37/h6-13,15,19,21,25,33,38-39H,14H2,1-5H3,(H,29,35)(H,30,34)/t19?,21?,25-,28-/m0/s1
InChIKeyNFPCYJLSKHGINB-RXJHGUIHSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (23768000)
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 S (CHEBI:202684) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
methyl 3-[(3aS,4S)-3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl]-2-[[2-[(2-hydroxy-3-methylbutanoyl)amino]benzoyl]amino]propanoate
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