EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140652 - (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate

ChEBI IDCHEBI:140652
ChEBI Name(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate
Stars
ASCII Name(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H9N2O2
Net Charge-1
Average Mass213.216
Monoisotopic Mass213.06695
SMILES[C-]#[N+][C@@H](Cc1cnc2ccccc12)C(=O)[O-]
InChIInChI=1S/C12H10N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,(H,15,16)/p-1/t11-/m0/s1
InChIKeyUBSZGFBFCQBSCZ-NSHDSACASA-M
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate (CHEBI:140652) has functional parent L-tryptophan (CHEBI:16828)
(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate (CHEBI:140652) is a organic molecular entity (CHEBI:50860)
Synonym  Source
L-tryptophan isonitrileSUBMITTER
UniProt Name  Source
(2S)-3-(1H-indol-3-yl)-2-isocyanopropanoateUniProt
Manual XrefsDatabases
CPD-20766MetaCyc
Citations