1. Primary Information
| English name: | Phosphatidylinositol, plant, wheat germ (Na+ salt) |
| CAS No.: | 383907-36-6 |
| Molecular formula: | C45H78NAO13P |
| Molecular weight: | 881.1 g/mol |
| SMILES: | CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 50 mg/mL in chloroform | 3360 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | >99% | 2880 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | >99% | 6560 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | >99% | 12000 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;[(2S)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
4.2 InChI
InChI=1S/C45H79O13P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h11-14,17-20,37,40-45,48-52H,3-10,15-16,21-36H2,1-2H3,(H,53,54);/q;+1/p-1/b13-11-,14-12-,19-17-,20-18-;/t37-,40?,41-,42+,43+,44+,45?;/m0./s1
4.3 InChIKey
NTGSBERWOLXQBK-OXCFANCGSA-M
4.4 Canonical SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
4.5 Isomeric SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
