CID 56939280
1-(9z-pentadecenoyl)-2-(9z-octadecenoyl)-3-(6z,9z,12z-octadecatrienoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C54H94O6
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,18-19,21,25-28,32,35,51H,4-15,17,20,22-24,29-31,33-34,36-50H2,1-3H3/b19-16-,21-18-,27-25-,28-26-,35-32-/t51-/m1/s1
- InChIKey
- JYKLRVXJOSODBG-DWAHRXBWSA-N
- Compound name
- [(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 839.71228 | 306.0 |
[M+Na]+ | 861.69422 | 312.2 |
[M-H]- | 837.69772 | 292.6 |
[M+NH4]+ | 856.73882 | 314.3 |
[M+K]+ | 877.66816 | 318.6 |
[M+H-H2O]+ | 821.70226 | 306.6 |
[M+HCOO]- | 883.70320 | 305.5 |
[M+CH3COO]- | 897.71885 | 306.4 |
[M+Na-2H]- | 859.67967 | 286.5 |
[M]+ | 838.70445 | 306.7 |
[M]- | 838.70555 | 306.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.