1. Primary Information
| English name: | PtdIns-(4,5)-P2 (1,2-dipalmitoyl) (sodium salt) |
| CAS No.: | 1628353-01-4 |
| Molecular formula: | C41H78NA3O19P3 |
| Molecular weight: | 1036.9 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100ug | >98% | 1968 | -20℃ | in stock | - |
| Kehua Intelligence | 1mg | >98% | 9288 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
trisodium;[(1R,2S,3R,4R,5S,6R)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxy-2,4,5-trihydroxy-6-[hydroxy(oxido)phosphoryl]oxycyclohexyl] hydrogen phosphate
4.2 InChI
InChI=1S/C41H81O19P3.3Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52;;;/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52);;;/q;3*+1/p-3/t33-,36-,37+,38+,39-,40-,41-;;;/m1.../s1
4.3 InChIKey
STJBVCQNLFXTFJ-QNYQTKJTSA-K
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+].[Na+]
