CID 131755509
1-palmitoyl-2-osbondoyl-3-vaccenoyl-glycerol
Structural Information
- Molecular Formula
- C59H102O6
- SMILES
- CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h16,19-20,23,25,27,29-30,35,38,44,47,56H,4-15,17-18,21-22,24,26,28,31-34,36-37,39-43,45-46,48-55H2,1-3H3/b19-16-,23-20-,27-25-,30-29-,38-35-,47-44-/t56-/m0/s1
- InChIKey
- FZTFMQZXKBWFLV-RSSZPTCJSA-N
- Compound name
- [(2S)-1-hexadecanoyloxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 907.77492 | 325.3 |
[M+Na]+ | 929.75686 | 326.2 |
[M+NH4]+ | 924.80146 | 327.3 |
[M+K]+ | 945.73080 | 330.1 |
[M-H]- | 905.76036 | 309.8 |
[M+Na-2H]- | 927.74231 | 319.9 |
[M]+ | 906.76709 | 322.4 |
[M]- | 906.76819 | 322.4 |
Literature stripe
Patent stripe
No patent data available for this compound.