CID 52926156
Ps(o-20:0/22:2(13z,16z))
Structural Information
- Molecular Formula
- C48H92NO9P
- SMILES
- CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C48H92NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-47(50)58-45(43-56-59(53,54)57-44-46(49)48(51)52)42-55-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45-46H,3-10,12,14-16,18,20-44,49H2,1-2H3,(H,51,52)(H,53,54)/b13-11-,19-17-/t45-,46+/m1/s1
- InChIKey
- KVANMPGZGLCEPU-QNWDUFECSA-N
- Compound name
- (2S)-2-amino-3-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-icosoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 858.65828 | 301.7 |
[M+Na]+ | 880.64022 | 302.5 |
[M-H]- | 856.64372 | 291.7 |
[M+NH4]+ | 875.68482 | 306.3 |
[M+K]+ | 896.61416 | 307.6 |
[M+H-H2O]+ | 840.64826 | 290.4 |
[M+HCOO]- | 902.64920 | 295.0 |
[M+CH3COO]- | 916.66485 | 307.3 |
[M+Na-2H]- | 878.62567 | 277.4 |
[M]+ | 857.65045 | 298.8 |
[M]- | 857.65155 | 298.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.