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CHEBI:59194 - 2-iminio-3-(7-chloroindol-3-yl)propionate

ChEBI IDCHEBI:59194
ChEBI Name2-iminio-3-(7-chloroindol-3-yl)propionate
Stars
DefinitionA zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of the imino tautomer of 7-chloro-α,β-didehydrotryptophan.
Last Modified2 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC11H9ClN2O2
Net Charge0
Average Mass236.658
Monoisotopic Mass236.03526
SMILES[NH2+]=C(Cc1cnc2c(Cl)cccc12)C(=O)[O-]
InChIInChI=1S/C11H9ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,13-14H,4H2,(H,15,16)
InChIKeyRZLZHCIMBPNTHP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-iminio-3-(7-chloroindol-3-yl)propionate (CHEBI:59194) is a zwitterion (CHEBI:27369)
2-iminio-3-(7-chloroindol-3-yl)propionate (CHEBI:59194) is conjugate acid of 2-imino-3-(7-chloroindol-3-yl)propionate(1−) (CHEBI:59887)
2-iminio-3-(7-chloroindol-3-yl)propionate (CHEBI:59194) is tautomer of 7-chloro-α,β-didehydrotryptophan (CHEBI:59195)
Incoming Relation(s)
2-imino-3-(7-chloroindol-3-yl)propionate(1−) (CHEBI:59887) is conjugate base of 2-iminio-3-(7-chloroindol-3-yl)propionate (CHEBI:59194)
7-chloro-α,β-didehydrotryptophan (CHEBI:59195) is tautomer of 2-iminio-3-(7-chloroindol-3-yl)propionate (CHEBI:59194)
IUPAC Name 
3-(7-chloro-1H-indol-3-yl)-2-iminiopropanoate
UniProt Name  Source
3-(7-chloroindol-3-yl)-2-iminopropanoateUniProt