1. Primary Information
| English name: | N-(octadecanoyl)-sphing-4-enine-1-phosphocholine |
| CAS No.: | 58909-84-5 |
| Molecular formula: | C41H83N2O6P |
| Molecular weight: | 731.1 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O |
| Structural class: | |
| Other identifiers: |
2,3-(N-steroylsphingosyl)-1-phosphocholine 2,3-SPPC |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥98% | 8400 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | >99% | 7680 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | >99% | 14000 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | >99% | 26400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
4.2 InChI
InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1
4.3 InChIKey
LKQLRGMMMAHREN-YJFXYUILSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
