CID 131819722
Ps(15:0/24:1(15z))
Structural Information
- Molecular Formula
- C45H86NO10P
- SMILES
- CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
- InChI
- InChI=1S/C45H86NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(48)56-41(39-54-57(51,52)55-40-42(46)45(49)50)38-53-43(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,41-42H,3-16,19-40,46H2,1-2H3,(H,49,50)(H,51,52)/b18-17-/t41-,42+/m1/s1
- InChIKey
- SVBJOAJMJMPNJC-HFBPHNSTSA-N
- Compound name
- (2S)-2-amino-3-[hydroxy-[(2R)-3-pentadecanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 832.60622 | 296.2 |
[M+Na]+ | 854.58816 | 298.7 |
[M+NH4]+ | 849.63276 | 302.8 |
[M+K]+ | 870.56210 | 300.9 |
[M-H]- | 830.59166 | 288.9 |
[M+Na-2H]- | 852.57361 | 295.2 |
[M]+ | 831.59839 | 295.8 |
[M]- | 831.59949 | 295.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.