Chem
J-GLOBAL ID：200907026717175866   Nikkaji number：J3.267K

Shikimic Acid

シキミ酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C7H10O5
Molecular formula furigana： C7-H10-O5
Molecular weight： 174.152
InChI： 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 key： JXOHGGNKMLTUBP-HSUXUTPPSA-N
SMILES： O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)O
Systematic name  (4)：
  • (3R,4S,5R)-3,4,5-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3R)-3β,4β,5α-トリヒドロキシ-1-シクロヘキセン-1-カルボン酸
  • (3R,4S,5R)-3,4,5-トリヒドロキシシクロヘキサ-1-エン-1-カルボン酸
  • (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
Other name (9)：
  • シキミ酸
  • Shikimic acid
  • (3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
  • Shikimate
  • シキマート
Show all
CAS registry number： 138-59-0
Regulation number (5)：
  • 3-(4)-55
  • GW4600000
  • EINECS2053342
  • (3)-4476
  • (3)-4491
KEGG COMPOUND： C00493
Application (1)：
metabolite
Thsaurus map：
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