CID 53480596
Tracylglycerol(22:6/16:1/22:6)
Structural Information
- Molecular Formula
- C63H96O6
- SMILES
- CCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C63H96O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-21,24-28,31-34,38-41,46-47,49-50,60H,4-6,9,12-15,18,22-23,29-30,35-37,42-45,48,51-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47-
- InChIKey
- XYPIPAZQKJCDSJ-YLXNAFABSA-N
- Compound name
- [3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 949.72798 | 319.8 |
[M+Na]+ | 971.70992 | 329.4 |
[M-H]- | 947.71342 | 309.8 |
[M+NH4]+ | 966.75452 | 330.7 |
[M+K]+ | 987.68386 | 335.7 |
[M+H-H2O]+ | 931.71796 | 320.0 |
[M+HCOO]- | 993.71890 | 322.8 |
[M+CH3COO]- | 1007.7346 | 320.8 |
[M+Na-2H]- | 969.69537 | 301.0 |
[M]+ | 948.72015 | 320.0 |
[M]- | 948.72125 | 320.0 |
Literature stripe
Patent stripe
No patent data available for this compound.