CID 52926098
Ps(o-16:0/17:2(9z,12z))
Structural Information
- Molecular Formula
- C39H74NO9P
- SMILES
- CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
- InChI
- InChI=1S/C39H74NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)49-36(34-47-50(44,45)48-35-37(40)39(42)43)33-46-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,36-37H,3-8,10,12-14,16,18-35,40H2,1-2H3,(H,42,43)(H,44,45)/b11-9-,17-15-/t36-,37+/m1/s1
- InChIKey
- PYBKSJHXTIWVGG-CBIJSSGGSA-N
- Compound name
- (2S)-2-amino-3-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]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.