CID 131801708
Diacylglycerol(14:0/0:0/18:4)
Structural Information
- Molecular Formula
- C35H60O5
- SMILES
- CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)O
- InChI
- InChI=1S/C35H60O5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,20,22,33,36H,3-4,6,8-10,12,14-15,18-19,21,23-32H2,1-2H3/b7-5-,13-11-,17-16-,22-20-/t33-/m1/s1
- InChIKey
- XZHKCTQNGKKTBK-GSBCBEKWSA-N
- Compound name
- [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 561.45138 | 246.5 |
[M+Na]+ | 583.43332 | 248.8 |
[M+NH4]+ | 578.47792 | 247.1 |
[M+K]+ | 599.40726 | 248.1 |
[M-H]- | 559.43682 | 235.1 |
[M+Na-2H]- | 581.41877 | 247.3 |
[M]+ | 560.44355 | 243.8 |
[M]- | 560.44465 | 243.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.