KNApSAcK Metabolite C00007812
Metabolite
KNApSAcK Entry
| id | C00007812 |
|---|---|
| Name | 3-Hydroxy-5-(methylsulfonyl)pentyl glucosinolate |
| CAS RN | |
| Standard InChI | InChI=1S/C13H25NO12S3/c1-28(20,21)5-4-7(16)2-3-9(14-26-29(22,23)24)27-13-12(19)11(18)10(17)8(6-15)25-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,22,23,24)/b14-9-/t7?,8?,10-,11?,12+,13+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C13H25NO12S3/c1-28(20,21)5-4-7(16)2-3-9(14-26-29(22,23)24)27-13-12(19)11(18)10(17)8(6-15)25-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,22,23,24) |
Cluster
| Phytochemical cluster | No. 76 |
|---|---|
| KCF-S cluster | No. 46 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Brassicaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Erysimum asperum | 115931 | Brassicaceae | rosids | Viridiplantae |
| Erysimum hieracifolium | 155756 | Brassicaceae | rosids | Viridiplantae |