CID 56937687
1-tridecanoyl-2-(9z,12z-heptadecadienoyl)-3-(5z,8z,11z,14z,17z-eicosapentaenoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C53H88O6
- SMILES
- CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
- InChI
- InChI=1S/C53H88O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-25-23-20-17-14-11-8-5-2/h7,10,14,16-17,19,23-26,28,30,34,37,50H,4-6,8-9,11-13,15,18,20-22,27,29,31-33,35-36,38-49H2,1-3H3/b10-7-,17-14-,19-16-,25-23-,26-24-,30-28-,37-34-/t50-/m1/s1
- InChIKey
- VUHGEBIQROVTIU-XQYQPWFUSA-N
- Compound name
- [(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-tridecanoyloxypropyl] (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]+ | 821.66538 | 299.6 |
[M+Na]+ | 843.64732 | 307.1 |
[M-H]- | 819.65082 | 288.2 |
[M+NH4]+ | 838.69192 | 308.6 |
[M+K]+ | 859.62126 | 312.3 |
[M+H-H2O]+ | 803.65536 | 300.3 |
[M+HCOO]- | 865.65630 | 301.1 |
[M+CH3COO]- | 879.67195 | 301.7 |
[M+Na-2H]- | 841.63277 | 281.4 |
[M]+ | 820.65755 | 299.8 |
[M]- | 820.65865 | 299.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.