CID 131756267
1-stearoyl-2-osbondoyl-3-arachidonyl-glycerol
Structural Information
- Molecular Formula
- C63H112O6
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,39,42,48,51,60H,4-15,17-18,20-24,26-27,29-30,32,34-38,40-41,43-47,49-50,52-59H2,1-3H3/b19-16-,28-25-,33-31-,42-39-,51-48-/t60-/m0/s1
- InChIKey
- MWJBYDLBNUIUKI-ZVKHHTNOSA-N
- Compound name
- [(2S)-1-icosanoyloxy-3-octadecanoyloxypropan-2-yl] (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]+ | 965.85318 | 339.4 |
[M+Na]+ | 987.83512 | 339.5 |
[M+NH4]+ | 982.87972 | 341.3 |
[M+K]+ | 1003.8091 | 344.3 |
[M-H]- | 963.83862 | 321.8 |
[M+Na-2H]- | 985.82057 | 332.3 |
[M]+ | 964.84535 | 336.0 |
[M]- | 964.84645 | 336.0 |
Literature stripe
Patent stripe
No patent data available for this compound.