| Entry |
|
|---|
| Name |
Shikimate;
Shikimic acid;
3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
|
|---|
| Formula |
C7H10O5
|
|---|
| Exact mass |
174.0528
|
|---|
| Mol weight |
174.1513
|
|---|
| Structure |
     |
|---|
| Comment |
Source: Illicium anisatum [TAX: 124794]
|
|---|
| Reaction |
|
|---|
| Pathway |
| Phenylalanine, tyrosine and tryptophan biosynthesis | | Biosynthesis of plant secondary metabolites | | Biosynthesis of phenylpropanoids | | Biosynthesis of alkaloids derived from shikimate pathway | | Biosynthesis of plant hormones | | Metabolic pathways | | Biosynthesis of secondary metabolites | | Biosynthesis of amino acids |
|
|---|
| Enzyme |
|
|---|
| Brite |
Carcinogens [BR:br08008]
Group 3: Not classifiable as to its carcinogenicity to humans
Compounds
C00493 Shikimate
 |
|---|
| Other DBs |
CAS: 138-59-0 PubChem: ChEBI: KNApSAcK: PDB-CCD: 3DMET: NIKKAJI: |
|---|
| KCF data |
ATOM 12
1 C2y C 22.1200 -15.1127
2 C1x C 23.3375 -15.8112
3 C2x C 20.9090 -15.8112
4 C6a C 22.1137 -13.7223
5 C1y C 23.3375 -17.2208
6 C1y C 20.9090 -17.2208
7 O6a O 23.3182 -13.0238
8 O6a O 20.9025 -13.0301
9 C1y C 22.1200 -17.9322
10 O1a O 24.5485 -17.9128
11 O1a O 19.6978 -17.9128
12 O1a O 22.1137 -19.3290
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Down
11 9 12 1 #Down
12 6 9 1
|
|---|
