CID 131760240
1-vaccenoyl-2-eicosadienoyl-3-a-linolenoyl-glycerol
Structural Information
- Molecular Formula
- C59H102O6
- SMILES
- CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30,56H,4-7,9-10,12-15,18,22-23,27,29,31-55H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,30-26-/t56-/m1/s1
- InChIKey
- UFNALLWHSAIWCE-ISTVBXQOSA-N
- Compound name
- [(2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
- 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.