CID 131781711
Cl(i-13:0/i-24:0/a-25:0/a-25:0)[rac]
Structural Information
- Molecular Formula
- C96H188O17P2
- 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)CCCCCCCCCCCCCCCCCCCCC(C)CC
- InChI
- InChI=1S/C96H188O17P2/c1-9-88(7)74-66-58-50-42-36-30-24-18-12-15-20-26-32-38-44-52-60-68-76-93(98)106-82-91(112-95(100)78-70-62-54-46-40-34-28-22-16-13-19-25-31-37-43-51-59-67-75-89(8)10-2)84-110-114(102,103)108-80-90(97)81-109-115(104,105)111-85-92(83-107-94(99)77-69-61-55-47-49-57-65-73-87(5)6)113-96(101)79-71-63-53-45-39-33-27-21-14-11-17-23-29-35-41-48-56-64-72-86(3)4/h86-92,97H,9-85H2,1-8H3,(H,102,103)(H,104,105)/t88?,89?,90?,91-,92-/m1/s1
- InChIKey
- HYQSVCKDSYLEHQ-NDSVAKPASA-N
- Compound name
- [(2R)-3-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-(11-methyldodecanoyloxy)-2-(22-methyltricosanoyloxy)propoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-(22-methyltetracosanoyloxy)propyl] 22-methyltetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1676.3395 | 474.3 |
[M+Na]+ | 1698.3214 | 465.6 |
[M-H]- | 1674.3249 | 462.2 |
[M+NH4]+ | 1693.3660 | 497.4 |
[M+K]+ | 1714.2954 | 491.7 |
[M+H-H2O]+ | 1658.3295 | 457.8 |
[M+HCOO]- | 1720.3304 | 436.3 |
[M+CH3COO]- | 1734.3461 | 402.3 |
[M+Na-2H]- | 1696.3069 | 435.1 |
[M]+ | 1675.3317 | 510.3 |
[M]- | 1675.3327 | 510.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.