CID 131754940
1-pentadecanoyl-2-stearyl-3-osbondoyl-glycerol
Structural Information
- Molecular Formula
- C58H104O5
- SMILES
- CCCCCCCCCCCCCCCCCCO[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C58H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-40-43-46-49-52-58(60)63-55-56(54-62-57(59)51-48-45-42-39-36-24-21-18-15-12-9-6-3)61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,43,46,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-,46-43-/t56-/m0/s1
- InChIKey
- IZZRAXDYXSIOLT-QEIFABEVSA-N
- Compound name
- [(2S)-2-octadecoxy-3-pentadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 881.79568 | 317.3 |
[M+Na]+ | 903.77762 | 322.2 |
[M-H]- | 879.78112 | 299.4 |
[M+NH4]+ | 898.82222 | 322.8 |
[M+K]+ | 919.75156 | 330.4 |
[M+H-H2O]+ | 863.78566 | 316.7 |
[M+HCOO]- | 925.78660 | 316.9 |
[M+CH3COO]- | 939.80225 | 315.6 |
[M+Na-2H]- | 901.76307 | 295.6 |
[M]+ | 880.78785 | 317.9 |
[M]- | 880.78895 | 317.9 |
Literature stripe
Patent stripe
No patent data available for this compound.