CID 131756441
1-stearoyl-2-docosahexaenoyl-3-arachidonoyl-glycerol
Structural Information
- Molecular Formula
- C63H102O6
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C63H102O6/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/h7,10,16-17,19-20,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,4-6,8-9,11-15,18,21-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m0/s1
- InChIKey
- JGZAQTBYJIAXMB-IQVPNVFRSA-N
- Compound name
- [(2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 955.77492 | 330.8 |
[M+Na]+ | 977.75686 | 333.1 |
[M+NH4]+ | 972.80146 | 332.8 |
[M+K]+ | 993.73080 | 337.1 |
[M-H]- | 953.76036 | 317.1 |
[M+Na-2H]- | 975.74231 | 325.8 |
[M]+ | 954.76709 | 328.8 |
[M]- | 954.76819 | 328.8 |
Literature stripe
Patent stripe
No patent data available for this compound.