CID 131756642
Tracylglycerol(20:0/24:0/22:6)
Structural Information
- Molecular Formula
- C69H122O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C69H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-42-45-48-51-54-57-60-63-69(72)75-66(64-73-67(70)61-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,44,47,53,56,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-43,45-46,48-52,54-55,57-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,47-44-,56-53-/t66-/m0/s1
- InChIKey
- XOKYREZBDZWDLF-HRYOGHOVSA-N
- Compound name
- [(2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-icosanoyloxypropan-2-yl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1047.9315 | 346.2 |
[M+Na]+ | 1069.9134 | 350.7 |
[M-H]- | 1045.9169 | 328.3 |
[M+NH4]+ | 1064.9580 | 354.9 |
[M+K]+ | 1085.8874 | 362.7 |
[M+H-H2O]+ | 1029.9215 | 345.7 |
[M+HCOO]- | 1091.9224 | 341.4 |
[M+CH3COO]- | 1105.9381 | 341.6 |
[M+Na-2H]- | 1067.8989 | 322.3 |
[M]+ | 1046.9237 | 349.0 |
[M]- | 1046.9247 | 349.0 |
Literature stripe
Patent stripe
No patent data available for this compound.