CID 52926275
Ps(p-20:0/22:6(4z,7z,10z,13z,16z,19z))
Structural Information
- Molecular Formula
- C48H82NO9P
- SMILES
- CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C48H82NO9P/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/h5,7,11,13,17,19,23-24,28,30,34,36,39,41,45-46H,3-4,6,8-10,12,14-16,18,20-22,25-27,29,31-33,35,37-38,40,42-44,49H2,1-2H3,(H,51,52)(H,53,54)/b7-5-,13-11-,19-17-,24-23-,30-28-,36-34-,41-39-/t45-,46+/m1/s1
- InChIKey
- VVZRUZNDHOKQSD-YFBDMMIZSA-N
- Compound name
- (2S)-2-amino-3-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-icos-1-enoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 848.57998 | 291.6 |
[M+Na]+ | 870.56192 | 295.6 |
[M-H]- | 846.56542 | 285.9 |
[M+NH4]+ | 865.60652 | 297.9 |
[M+K]+ | 886.53586 | 298.3 |
[M+H-H2O]+ | 830.56996 | 280.7 |
[M+HCOO]- | 892.57090 | 289.3 |
[M+CH3COO]- | 906.58655 | 301.8 |
[M+Na-2H]- | 868.54737 | 269.9 |
[M]+ | 847.57215 | 287.8 |
[M]- | 847.57325 | 287.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.