CID 52926215
Ps(p-18:0/15:1(9z))
Structural Information
- Molecular Formula
- C39H74NO9P
- SMILES
- CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCC
- InChI
- InChI=1S/C39H74NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-46-33-36(34-47-50(44,45)48-35-37(40)39(42)43)49-38(41)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h12,14,30,32,36-37H,3-11,13,15-29,31,33-35,40H2,1-2H3,(H,42,43)(H,44,45)/b14-12-,32-30-/t36-,37+/m1/s1
- InChIKey
- XDSQAWSCYUNWRX-YCEYHJOASA-N
- Compound name
- (2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-octadec-1-enoxy]-2-[(Z)-pentadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 732.51741 | 273.6 |
[M+Na]+ | 754.49935 | 276.0 |
[M-H]- | 730.50285 | 267.1 |
[M+NH4]+ | 749.54395 | 278.3 |
[M+K]+ | 770.47329 | 277.3 |
[M+H-H2O]+ | 714.50739 | 263.2 |
[M+HCOO]- | 776.50833 | 270.4 |
[M+CH3COO]- | 790.52398 | 284.0 |
[M+Na-2H]- | 752.48480 | 252.7 |
[M]+ | 731.50958 | 269.5 |
[M]- | 731.51068 | 269.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.