CID 131757610
Tracylglycerol(22:0/20:3n6/18:0)
Structural Information
- Molecular Formula
- C63H118O5
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C63H118O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,36,39,61H,4-16,18-19,21-25,27-28,30-35,37-38,40-60H2,1-3H3/b20-17-,29-26-,39-36-/t61-/m1/s1
- InChIKey
- FATDEJIPCRXHBE-OXDZVLJVSA-N
- Compound name
- [(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-octadecoxypropyl] docosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 955.90523 | 335.8 |
[M+Na]+ | 977.88717 | 338.7 |
[M-H]- | 953.89067 | 314.4 |
[M+NH4]+ | 972.93177 | 340.7 |
[M+K]+ | 993.86111 | 349.8 |
[M+H-H2O]+ | 937.89521 | 334.7 |
[M+HCOO]- | 999.89615 | 332.0 |
[M+CH3COO]- | 1013.9118 | 329.7 |
[M+Na-2H]- | 975.87262 | 311.3 |
[M]+ | 954.89740 | 337.4 |
[M]- | 954.89850 | 337.4 |
Literature stripe
Patent stripe
No patent data available for this compound.