EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216301 - Indolokine A2

ChEBI IDCHEBI:216301
ChEBI NameIndolokine A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H13N3O4S
Net Charge0
Average Mass331.353
Monoisotopic Mass331.06268
SMILESO=C(O)CNC(=O)[C@@H]1CSC(C(=O)c2cnc3ccccc23)=N1
InChIInChI=1S/C15H13N3O4S/c19-12(20)6-17-14(22)11-7-23-15(18-11)13(21)9-5-16-10-4-2-1-3-8(9)10/h1-5,11,16H,6-7H2,(H,17,22)(H,19,20)/t11-/m0/s1
InChIKeyOANJKHJZNRTUCW-NSHDSACASA-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 A2 (CHEBI:216301) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[[(4R)-2-(1H-indole-3-carbonyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]acetic acid