CID 56940356
1-(6z,9z,12z,15z-octadecatetraenoyl)-2-9z-nonadecenoyl-3-(5z,8z,11z,14z,17z-eicosapentaenoyl)-sn-glycerol
Structural Information
- Molecular Formula
- C60H96O6
- SMILES
- CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C60H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25,27-29,31-33,35,37,40-41,44,57H,4-6,8,11,13-15,17,20,22-24,26,30,34,36,38-39,42-43,45-56H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-27-,32-29-,35-33-,40-37-,44-41-/t57-/m1/s1
- InChIKey
- SCQNBCXYIZNLBR-MYOKXRLUSA-N
- Compound name
- [(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 913.72798 | 315.4 |
[M+Na]+ | 935.70992 | 323.6 |
[M-H]- | 911.71342 | 304.0 |
[M+NH4]+ | 930.75452 | 325.3 |
[M+K]+ | 951.68386 | 330.1 |
[M+H-H2O]+ | 895.71796 | 315.7 |
[M+HCOO]- | 957.71890 | 316.9 |
[M+CH3COO]- | 971.73455 | 316.3 |
[M+Na-2H]- | 933.69537 | 296.1 |
[M]+ | 912.72015 | 315.8 |
[M]- | 912.72125 | 315.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.