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MetaCyc Compound: 5-amino-5-deoxy-3-dehydroshikimate

Synonyms: 5-deoxy-5-amino-3-dehydroshikimic acid, aminoDHS, 5-deoxy-5-amino-3-dehydroshikimate

Chemical Formula: C7H9NO4

Molecular Weight: 171.15 Daltons

Monoisotopic Molecular Weight: 172.0609828146 Daltons

5-amino-5-deoxy-3-dehydroshikimate compound structure

SMILES: C([O-])(=O)C1(CC([N+])C(O)C(=O)C=1)

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: InChIKey=NTKDYXWKDJOXSZ-XINAWCOVSA-N

Unification Links: ChEBI:71963, KEGG:C12108, PubChem:25245811

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): -50.289906Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

3-amino-5-hydroxybenzoate biosynthesis :
5-amino-5-deoxy-3-dehydroshikimate → 3-amino-5-hydroxybenzoate + H+ + H2O

Reactions known to produce the compound:

3-amino-5-hydroxybenzoate biosynthesis :
5-deoxy-5-amino-3-dehydroquinate → 5-amino-5-deoxy-3-dehydroshikimate + H2O


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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