CID 131756375
Tracylglycerol(18:0/20:5/24:0)
Structural Information
- Molecular Formula
- C65H116O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,38,41,47,50,62H,4-7,9-10,12-16,18-19,21-25,27-28,30-37,39-40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,29-26-,41-38-,50-47-/t62-/m0/s1
- InChIKey
- LJYUFVMVKFWCOH-XMJRFMMJSA-N
- Compound name
- [(2S)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-octadecanoyloxypropyl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 993.88448 | 337.4 |
[M+Na]+ | 1015.8664 | 341.9 |
[M-H]- | 991.86992 | 320.1 |
[M+NH4]+ | 1010.9110 | 345.8 |
[M+K]+ | 1031.8404 | 352.8 |
[M+H-H2O]+ | 975.87446 | 337.1 |
[M+HCOO]- | 1037.8754 | 333.1 |
[M+CH3COO]- | 1051.8911 | 333.2 |
[M+Na-2H]- | 1013.8519 | 314.2 |
[M]+ | 992.87665 | 339.6 |
[M]- | 992.87775 | 339.6 |
Literature stripe
Patent stripe
No patent data available for this compound.