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CHEBI:197523 - 8-deoxyneodysiherbaine A

ChEBI IDCHEBI:197523
ChEBI Name8-deoxyneodysiherbaine A
Stars
DefinitionA furopyran that is neodysiherbaine A in which the hydroxy group at position 8 is replaced by hydrogen. It is a potent full agonist of the kainate-type ionotropic receptor GluK1 (Ki = 1.5 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[C@H](O)CO2
InChIInChI=1S/C11H17NO7/c12-6(9(14)15)2-11(10(16)17)3-8-7(19-11)1-5(13)4-18-8/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6-,7+,8+,11+/m0/s1
InChIKeyJVLNPAVKDNEYGY-NRURWVQNSA-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)
8-deoxyneodysiherbaine A (CHEBI:197523) has role excitatory amino acid agonist (CHEBI:50103)
8-deoxyneodysiherbaine A (CHEBI:197523) is a amino dicarboxylic acid (CHEBI:36164)
8-deoxyneodysiherbaine A (CHEBI:197523) is a furopyran (CHEBI:74927)
8-deoxyneodysiherbaine A (CHEBI:197523) is a hydroxy carboxylic acid (CHEBI:24669)
8-deoxyneodysiherbaine A (CHEBI:197523) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,3aR,6S,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)
Synonyms  Source
8-deoxy-neoDHSUBMITTER
8-deoxy-NDHChEBI
Manual XrefsDatabases
8DXPDBeChem
Citations