CID 131754093
1-myristoyl-2-stearyl-3-eicosapentaenoyl-glycerol
Structural Information
- Molecular Formula
- C55H98O5
- SMILES
- CCCCCCCCCCCCCCCCCCO[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C55H98O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-37-40-43-46-49-55(57)60-52-53(51-59-54(56)48-45-42-39-36-33-21-18-15-12-9-6-3)58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,29,31,37,40,53H,4-6,8-9,11-15,17-18,20-23,25,27-28,30,32-36,38-39,41-52H2,1-3H3/b10-7-,19-16-,26-24-,31-29-,40-37-/t53-/m0/s1
- InChIKey
- TZXMSONPXDUMEW-IYIGBQIMSA-N
- Compound name
- [(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 839.74874 | 312.7 |
[M+Na]+ | 861.73068 | 313.5 |
[M+NH4]+ | 856.77528 | 313.4 |
[M+K]+ | 877.70462 | 316.5 |
[M-H]- | 837.73418 | 295.2 |
[M+Na-2H]- | 859.71613 | 307.4 |
[M]+ | 838.74091 | 308.9 |
[M]- | 838.74201 | 308.9 |
Literature stripe
Patent stripe
No patent data available for this compound.