CID 56937509
1-tridecanoyl-2-(9z-tetradecenoyl)-3-(11z,14z-eicosadienoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C50H90O6
- SMILES
- CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCC
- InChI
- InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-20-17-14-11-8-5-2/h14,16-17,19,23-24,47H,4-13,15,18,20-22,25-46H2,1-3H3/b17-14-,19-16-,24-23-/t47-/m1/s1
- InChIKey
- MBUWHEQVQMOOFM-DYKMNIKUSA-N
- Compound name
- [(2R)-2-[(Z)-tetradec-9-enoyl]oxy-3-tridecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 787.68105 | 297.6 |
[M+Na]+ | 809.66299 | 303.2 |
[M-H]- | 785.66649 | 284.0 |
[M+NH4]+ | 804.70759 | 305.3 |
[M+K]+ | 825.63693 | 309.0 |
[M+H-H2O]+ | 769.67103 | 298.4 |
[M+HCOO]- | 831.67197 | 296.8 |
[M+CH3COO]- | 845.68762 | 298.3 |
[M+Na-2H]- | 807.64844 | 278.5 |
[M]+ | 786.67322 | 298.4 |
[M]- | 786.67432 | 298.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.