Showing metabocard for Shikimic acid (MMDBc0000226)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-10-27 23:40:28 UTC
Update Date2022-08-31 00:14:59 UTC
MiMeDB IDMMDBc0000226
Metabolite Identification
Common NameShikimic acid
DescriptionShikimic acid, more commonly known as its anionic form shikimate, is an important biochemical intermediate in plants and microorganisms. Its name comes from the Japanese flower shikimi (シキミ, Illicium anisatum), from which it was first isolated. Shikimic acid is a precursor for: the aromatic amino acids phenylalanine and tyrosine; indole, indole derivatives and tryptophan; many alkaloids and other aromatic metabolites; tannins; and lignin. In pharmaceutical industry, shikimic acid from chinese star anise is used as a base material for production of Tamiflu (oseltamivir). Although shikimic acid is present in most autotrophic organisms, it is a biosynthetic intermediate and generally found in very low concentrations (Wikipedia).
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76a4e81b8>

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3D MOL for #<Metabolite:0x000055b76a4e81b8>
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3D SDF for #<Metabolite:0x000055b76a4e81b8>
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3D-SDF for #<Metabolite:0x000055b76a4e81b8>
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PDB for #<Metabolite:0x000055b76a4e81b8>
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3D PDB for #<Metabolite:0x000055b76a4e81b8>
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SMILES for #<Metabolite:0x000055b76a4e81b8>
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INCHI for #<Metabolite:0x000055b76a4e81b8>
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SynonymsNot Available
Chemical FormulaC7H10O5
Average Molecular Weight174.1513
Monoisotopic Molecular Weight174.05282343
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number138-59-0
SMILESNot Available
InChI Identifier
InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
InChI KeyJXOHGGNKMLTUBP-HSUXUTPPSA-N