bmse000114 Shikimic acid at BMRB

Shikimic acid

1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))- (9CI)

Bracken fern toxic component

3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylic acid

(3R,4S,5R)-3,4,5-Trihydroxycyclohex-1-enecarboxylic acid

Shikimate

1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))-

3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid

SHIKIMIC ACID

3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid

Shikimic acid

InCHi String:
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

isomeric SMILES:
C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O
canonical SMILES:
C1C(C(C(C=C1C(=O)O)O)O)O

IUPAC
(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid

PubChem Substance (SID):   85164949   151900   3776
PubChem Compound (CID):   8742
KEGG: Compound ID   C00493
CAS Registry IDs:   138-59-0
PDB Chemical Component   SKM
Miscellaneous Databases and IDs:   CHEBI 16119   EINECS 205-334-2   CCRIS 7681   HSDB 3537   NSC 59257

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.