CID 131761893
1-meadoyl-2-g-linolenoyl-3-eicosadienoyl-glycerol
Structural Information
- Molecular Formula
- C61H102O6
- SMILES
- CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-29,32,34,36,40,42-43,45,58H,4-15,17,20,22-24,30-31,33,35,37-39,41,44,46-57H2,1-3H3/b19-16-,21-18-,28-25-,29-26-,32-27-,36-34-,43-40-,45-42-/t58-/m1/s1
- InChIKey
- PLUOUUVNSXBTLU-DLYLOXFFSA-N
- Compound name
- [(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 931.77492 | 321.1 |
[M+Na]+ | 953.75686 | 328.0 |
[M-H]- | 929.76036 | 307.7 |
[M+NH4]+ | 948.80146 | 330.4 |
[M+K]+ | 969.73080 | 335.9 |
[M+H-H2O]+ | 913.76490 | 321.3 |
[M+HCOO]- | 975.76584 | 320.7 |
[M+CH3COO]- | 989.78149 | 320.8 |
[M+Na-2H]- | 951.74231 | 300.6 |
[M]+ | 930.76709 | 322.1 |
[M]- | 930.76819 | 322.1 |
Literature stripe
Patent stripe
No patent data available for this compound.