CID 131757905
Tracylglycerol(24:0/16:0/24:1)
Structural Information
- Molecular Formula
- C67H128O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
- InChI
- InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,64H,4-24,26,28-63H2,1-3H3/b27-25-/t64-/m1/s1
- InChIKey
- WDFVTCFADLGAKM-AABDSECWSA-N
- Compound name
- [(2S)-2-hexadecanoyloxy-3-[(Z)-tetracos-15-enoyl]oxypropyl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1029.9784 | 351.3 |
[M+Na]+ | 1051.9603 | 353.0 |
[M-H]- | 1027.9638 | 330.0 |
[M+NH4]+ | 1047.0049 | 358.5 |
[M+K]+ | 1067.9343 | 366.6 |
[M+H-H2O]+ | 1011.9684 | 350.7 |
[M+HCOO]- | 1073.9693 | 342.9 |
[M+CH3COO]- | 1087.9850 | 341.2 |
[M+Na-2H]- | 1049.9458 | 325.4 |
[M]+ | 1028.9706 | 354.7 |
[M]- | 1028.9716 | 354.7 |
Literature stripe
Patent stripe
No patent data available for this compound.