CID 56939909
1-(9z,12z-heptadecadienoyl)-2-9z-nonadecenoyl-3-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C61H100O6
- SMILES
- CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,27-29,31-33,36,39,45,48,58H,4-6,8-9,11-14,17,20-23,26,30,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,18-15-,19-16-,27-24-,28-25-,32-31-,33-29-,39-36-,48-45-/t58-/m1/s1
- InChIKey
- RJPGEJYNGTUODS-RPOLARJPSA-N
- Compound name
- [(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 929.75928 | 319.6 |
[M+Na]+ | 951.74122 | 327.1 |
[M-H]- | 927.74472 | 307.0 |
[M+NH4]+ | 946.78582 | 329.2 |
[M+K]+ | 967.71516 | 334.5 |
[M+H-H2O]+ | 911.74926 | 319.8 |
[M+HCOO]- | 973.75020 | 320.0 |
[M+CH3COO]- | 987.76585 | 319.8 |
[M+Na-2H]- | 949.72667 | 299.6 |
[M]+ | 928.75145 | 320.3 |
[M]- | 928.75255 | 320.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.