CID 131754618
Tracylglycerol(15:0/20:3n6/20:2n6)
Structural Information
- Molecular Formula
- C58H102O6
- SMILES
- CCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,32,34,55H,4-15,18,21-24,29-31,33,35-54H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,34-32-/t55-/m0/s1
- InChIKey
- OJTIKHMNJGDGKN-IDMFMDEISA-N
- Compound name
- [(2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-pentadecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 895.77492 | 324.0 |
[M+Na]+ | 917.75686 | 324.5 |
[M+NH4]+ | 912.80146 | 326.0 |
[M+K]+ | 933.73080 | 328.3 |
[M-H]- | 893.76036 | 308.0 |
[M+Na-2H]- | 915.74231 | 318.4 |
[M]+ | 894.76709 | 320.9 |
[M]- | 894.76819 | 320.9 |
Literature stripe
Patent stripe
No patent data available for this compound.