1. Primary Information
| English name: | PtdIns-(3,4,5)-P3 (1,2-dipalmitoyl) (sodium salt) |
| CAS No.: | 1628353-02-5 |
| Molecular formula: | C41H78NA4O22P4 |
| Molecular weight: | 1138.9 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[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
tetrasodium;[(1S,2S,4S,5R)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxy-2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate
4.2 InChI
InChI=1S/C41H82O22P4.4Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51;;;;/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54);;;;/q;4*+1/p-4/t33-,36+,37+,38?,39-,40+,41?;;;;/m1..../s1
4.3 InChIKey
OKHWJEMVEFYEGE-GQDGIFEPSA-J
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+].[Na+].[Na+]
