CID 9543944
Dg(21:0/22:4/0:0)[iso2]
Structural Information
- Molecular Formula
- C46H82O5
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C46H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44(42-47)43-50-45(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,44,47H,3-10,12,14-16,18,20-22,24,26-28,30,32-43H2,1-2H3/b13-11-,19-17-,25-23-,31-29-/t44-/m0/s1
- InChIKey
- DHKKTSJTVZCIKC-OIGUOTQVSA-N
- Compound name
- [(2S)-1-henicosanoyloxy-3-hydroxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 715.62348 | 280.8 |
[M+Na]+ | 737.60542 | 286.0 |
[M-H]- | 713.60892 | 266.1 |
[M+NH4]+ | 732.65002 | 283.8 |
[M+K]+ | 753.57936 | 289.9 |
[M+H-H2O]+ | 697.61346 | 280.1 |
[M+HCOO]- | 759.61440 | 282.2 |
[M+CH3COO]- | 773.63005 | 283.5 |
[M+Na-2H]- | 735.59087 | 262.3 |
[M]+ | 714.61565 | 279.5 |
[M]- | 714.61675 | 279.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.