CID 131762854
Tracylglycerol(24:1/18:2/22:2)
Structural Information
- Molecular Formula
- C67H120O6
- SMILES
- CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C67H120O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-38-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,38,64H,4-16,19,22-24,30-37,39-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,38-27-/t64-/m1/s1
- InChIKey
- BZLQTPODYMJVMF-XOSIKHKMSA-N
- Compound name
- [(2S)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-tetracos-15-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1021.9158 | 342.8 |
[M+Na]+ | 1043.8977 | 347.0 |
[M-H]- | 1019.9012 | 324.8 |
[M+NH4]+ | 1038.9423 | 351.2 |
[M+K]+ | 1059.8717 | 358.7 |
[M+H-H2O]+ | 1003.9058 | 342.4 |
[M+HCOO]- | 1065.9067 | 337.8 |
[M+CH3COO]- | 1079.9224 | 337.9 |
[M+Na-2H]- | 1041.8832 | 319.0 |
[M]+ | 1020.9080 | 345.4 |
[M]- | 1020.9090 | 345.4 |
Literature stripe
Patent stripe
No patent data available for this compound.