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CHEBI:197524 - 9-deoxyneodysiherbaine A

ChEBI IDCHEBI:197524
ChEBI Name9-deoxyneodysiherbaine A
Stars
DefinitionA furopyran that is neodysiherbaine A in which the hydroxy group at position 9 is replaced by hydrogen. It is a partial agonist of the kainate-type ionotropic receptor GluK1 (Ki = 169 nM).
Last Modified16 May 2025
Submittersbalu
DownloadsMolfile
FormulaC11H17NO7
Net Charge0
Average Mass275.257
Monoisotopic Mass275.10050
SMILES[H][C@@]12C[C@](C[C@H](N)C(=O)O)(C(=O)O)O[C@]1([H])[C@H](O)CCO2
InChIInChI=1S/C11H17NO7/c12-5(9(14)15)3-11(10(16)17)4-7-8(19-11)6(13)1-2-18-7/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6+,7+,8+,11+/m0/s1
InChIKeyKHYCZTHJICFSLU-XMURUDDGSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
excitatory amino acid agonist  An agent that binds to and activates excitatory amino acid receptors.
Application:
excitatory amino acid agonist  An agent that binds to and activates excitatory amino acid receptors.
ChEBI Ontology
Outgoing Relation(s)
9-deoxyneodysiherbaine A (CHEBI:197524) has role excitatory amino acid agonist (CHEBI:50103)
9-deoxyneodysiherbaine A (CHEBI:197524) is a amino dicarboxylic acid (CHEBI:36164)
9-deoxyneodysiherbaine A (CHEBI:197524) is a furopyran (CHEBI:74927)
9-deoxyneodysiherbaine A (CHEBI:197524) is a hydroxy carboxylic acid (CHEBI:24669)
9-deoxyneodysiherbaine A (CHEBI:197524) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,3aR,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-7-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)
Synonyms  Source
9-deoxy-NDHChEBI
9-deoxy-neoDHChEBI
Manual XrefsDatabases
9DXPDBeChem
Citations