KNApSAcK Metabolite C00007840
Metabolite
KNApSAcK Entry
| id | C00007840 |
|---|---|
| Name | 5-(Methylsufinyl)pentyl glucosinolate |
| CAS RN | |
| Standard InChI | InChI=1S/C13H25NO11S3/c1-27(19,20)6-4-2-3-5-9(14-25-28(21,22)23)26-13-12(18)11(17)10(16)8(7-15)24-13/h8,10-13,15-18H,2-7H2,1H3,(H,21,22,23)/b14-9-/t8?,10-,11?,12+,13+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C13H25NO11S3/c1-27(19,20)6-4-2-3-5-9(14-25-28(21,22)23)26-13-12(18)11(17)10(16)8(7-15)24-13/h8,10-13,15-18H,2-7H2,1H3,(H,21,22,23) |
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 |
|---|---|---|---|---|
| Cakile maritima | 220483 | Brassicaceae | rosids | Viridiplantae |
| Erysimum rhaeticum | 761866 | Brassicaceae | rosids | Viridiplantae |