EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216313 - Indolokine A4

ChEBI IDCHEBI:216313
ChEBI NameIndolokine A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10N2O3S
Net Charge0
Average Mass274.301
Monoisotopic Mass274.04121
SMILESO=C(C1=N[C@H](C(=O)O)CS1)c1cnc2ccccc12
InChIInChI=1S/C13H10N2O3S/c16-11(12-15-10(6-19-12)13(17)18)8-5-14-9-4-2-1-3-7(8)9/h1-5,10,14H,6H2,(H,17,18)/t10-/m0/s1
InChIKeyBUZANEDWSLELSW-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (32243812)
ChEBI Ontology
Outgoing Relation(s)
Indolokine A4 (CHEBI:216313) has functional parent α-amino acid (CHEBI:33704)
Indolokine A4 (CHEBI:216313) is a organonitrogen compound (CHEBI:35352)
Indolokine A4 (CHEBI:216313) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4R)-2-(1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid