CID 56937583
1-tridecanoyl-2-hexadecanoyl-3-(6z,9z,12z-octadecatrienoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C50H90O6
- SMILES
- CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-24-25-27-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,28,31,47H,4-15,17-18,20-23,26-27,29-30,32-46H2,1-3H3/b19-16-,25-24-,31-28-/t47-/m1/s1
- InChIKey
- YTTQCGJHDCLISW-VWYILOHPSA-N
- Compound name
- [(2R)-2-hexadecanoyloxy-3-tridecanoyloxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
- 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.