CID 52926706
Pg(18:4(6z,9z,12z,15z)/18:4(6z,9z,12z,15z))
Structural Information
- Molecular Formula
- C42H67O10P
- SMILES
- CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C42H67O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,39-40,43-44H,3-4,9-10,15-16,21-22,27-38H2,1-2H3,(H,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40+/m0/s1
- InChIKey
- WHUYXDBKZOGVHD-HKAVRQNJSA-N
- Compound name
- [(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 763.45448 | 275.1 |
[M+Na]+ | 785.43642 | 278.3 |
[M-H]- | 761.43992 | 271.1 |
[M+NH4]+ | 780.48102 | 282.3 |
[M+K]+ | 801.41036 | 279.2 |
[M+H-H2O]+ | 745.44446 | 265.1 |
[M+HCOO]- | 807.44540 | 276.9 |
[M+CH3COO]- | 821.46105 | 279.0 |
[M+Na-2H]- | 783.42187 | 255.2 |
[M]+ | 762.44665 | 272.7 |
[M]- | 762.44775 | 272.7 |
Literature stripe
No literature data available for this compound.