CID 131765653
1-osbondoyl-2-eicsoatetraenoyl-3-a-linolenoyl-glycerol
Structural Information
- Molecular Formula
- C63H98O6
- SMILES
- CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-29,31,33-34,36,38-39,41,47,50,60H,4-7,10,13-15,22-24,30,32,35,37,40,42-46,48-49,51-59H2,1-3H3/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,50-47-/t60-/m1/s1
- InChIKey
- KMSKYVYBWWMLFU-XMUFMVADSA-N
- Compound name
- [(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 951.74358 | 321.0 |
[M+Na]+ | 973.72552 | 330.0 |
[M-H]- | 949.72902 | 310.2 |
[M+NH4]+ | 968.77012 | 331.5 |
[M+K]+ | 989.69946 | 336.7 |
[M+H-H2O]+ | 933.73356 | 321.2 |
[M+HCOO]- | 995.73450 | 323.2 |
[M+CH3COO]- | 1009.7502 | 321.8 |
[M+Na-2H]- | 971.71097 | 301.7 |
[M]+ | 950.73575 | 321.4 |
[M]- | 950.73685 | 321.4 |
Literature stripe
Patent stripe
No patent data available for this compound.