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CHEBI:216319 - Indolokine A8

ChEBI IDCHEBI:216319
ChEBI NameIndolokine A8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13N3O5S
Net Charge0
Average Mass359.363
Monoisotopic Mass359.05759
SMILESO=C(O)CNC(=O)C1=NC(C(=O)O)=C(c2cnc3ccccc23)SC1
InChIInChI=1S/C16H13N3O5S/c20-12(21)6-18-15(22)11-7-25-14(13(19-11)16(23)24)9-5-17-10-4-2-1-3-8(9)10/h1-5,17H,6-7H2,(H,18,22)(H,20,21)(H,23,24)
InChIKeyFMIXORNQONFTAM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (32243812)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Indolokine A8 (CHEBI:216319) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
3-(carboxymethylcarbamoyl)-6-(1H-indol-3-yl)-2H-1,4-thiazine-5-carboxylic acid