CHEBI:42941 - (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

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ChEBI Name (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid
ChEBI ID CHEBI:42941
ChEBI ASCII Name (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid
Definition A non-proteinogenic amino acid derivative consisting of L-proline ortho- and peri-fused on to (3S)-3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C13H14N2O3
Net Charge 0
Average Mass 246.266
Monoisotopic Mass 246.10044
InChI InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1
InChIKey KCYCGNHQFGTGSS-UWVGGRQHSA-N
SMILES N[C@H]1CCC2=CC=CC3=C2N([C@@H](C3)C(O)=O)C1=O
ChEBI Ontology
Outgoing (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid (CHEBI:42941) has functional parent L-proline (CHEBI:17203)
(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid (CHEBI:42941) is a non-proteinogenic amino acid derivative (CHEBI:83812)
IUPAC Name
(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid
Synonyms Sources
(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid PDBeChem
5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID PDBeChem
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17081730 PubMed citation Europe PMC
Last Modified
28 July 2021