CID 131781708
Cl(i-13:0/i-24:0/a-25:0/i-22:0)[rac]
Structural Information
- Molecular Formula
- C93H182O17P2
- SMILES
- CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)O)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C93H182O17P2/c1-9-86(8)72-64-56-48-40-34-28-22-15-11-13-16-23-29-35-41-49-57-65-73-90(95)103-79-88(109-92(97)75-68-60-51-43-37-31-25-19-18-21-27-33-39-46-54-62-70-84(4)5)81-107-111(99,100)105-77-87(94)78-106-112(101,102)108-82-89(80-104-91(96)74-66-58-52-44-47-55-63-71-85(6)7)110-93(98)76-67-59-50-42-36-30-24-17-12-10-14-20-26-32-38-45-53-61-69-83(2)3/h83-89,94H,9-82H2,1-8H3,(H,99,100)(H,101,102)/t86?,87?,88-,89-/m1/s1
- InChIKey
- DFGDKBHHKHQAAG-ODDYJMAXSA-N
- Compound name
- [(2R)-3-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-(11-methyldodecanoyloxy)-2-(22-methyltricosanoyloxy)propoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-(20-methylhenicosanoyloxy)propyl] 22-methyltetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1634.2926 | 468.2 |
[M+Na]+ | 1656.2745 | 459.9 |
[M-H]- | 1632.2780 | 457.0 |
[M+NH4]+ | 1651.3191 | 491.3 |
[M+K]+ | 1672.2485 | 485.0 |
[M+H-H2O]+ | 1616.2826 | 451.7 |
[M+HCOO]- | 1678.2835 | 430.9 |
[M+CH3COO]- | 1692.2992 | 398.5 |
[M+Na-2H]- | 1654.2600 | 429.5 |
[M]+ | 1633.2848 | 502.6 |
[M]- | 1633.2858 | 502.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.