GT1
Summary
| Name: | [5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
| Synonyms: | ginkgotoxin, phosphorylated |
| Formula: | C9 H14 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 263.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | [4-(methoxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCc1cnc(c(O)c1COC)C |
| InChI | InChI | 1.03 | InChI=1S/C9H14NO6P/c1-6-9(11)8(5-15-2)7(3-10-6)4-16-17(12,13)14/h3,11H,4-5H2,1-2H3,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | RFYDYCIMPLKICN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCc1c(O)c(C)ncc1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | COCc1c(O)c(C)ncc1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(cn1)COP(=O)(O)O)COC)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(cn1)COP(=O)(O)O)COC)O |
