CHEBI:29514 - 5-amino-5-deoxy-3-dehydroshikimic acid

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ChEBI Name 5-amino-5-deoxy-3-dehydroshikimic acid ChEBI ID CHEBI:29514 Definition A γ-amino acid that is shikimic acid in which the 3- and 5-hydroxy groups are replaced by oxo and amino groups respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H9NO4 Net Charge 0 Average Mass 171.15070 Monoisotopic Mass 171.05316 InChI InChI=1S/C7H9NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4,6,10H,1,8H2,(H,11,12)/t4-,6+/m1/s1 InChIKey NTKDYXWKDJOXSZ-XINAWCOVSA-N SMILES N[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) has functional parent shikimic acid (CHEBI:16119) 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) is a γ-amino acid (CHEBI:33707) 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) is a 4-oxo monocarboxylic acid (CHEBI:35950) 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) is a 5-hydroxy monocarboxylic acid (CHEBI:37125) 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) is a enone (CHEBI:51689) 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) is a secondary α-hydroxy ketone (CHEBI:2468) 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) is tautomer of 5-amino-5-deoxy-3-dehydroshikimic acid zwitterion (CHEBI:71963) Incoming 5-amino-5-deoxy-3-dehydroshikimic acid zwitterion (CHEBI:71963) is tautomer of 5-amino-5-deoxy-3-dehydroshikimic acid (CHEBI:29514) IUPAC Name (4S,5R)-5-amino-4-hydroxy-3-oxocyclohex-1-ene-1-carboxylic acid Synonyms Sources 5-Deoxy-5-amino-3-dehydroshikimic acid KEGG COMPOUND AminoDHS KEGG COMPOUND Manual Xrefs Databases C12108 KEGG COMPOUND CPD-10230 MetaCyc View more database links Registry Number Type Source 5810270 Reaxys Registry Number Reaxys Citation Type Source 9497318 PubMed citation Europe PMC Last Modified 13 December 2018