CID 131822180
Pa(24:0/20:3(5z,8z,11z))
Structural Information
- Molecular Formula
- C47H87O8P
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
- InChI
- InChI=1S/C47H87O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h18,20,28,30,34,36,45H,3-17,19,21-27,29,31-33,35,37-44H2,1-2H3,(H2,50,51,52)/b20-18-,30-28-,36-34-/t45-/m1/s1
- InChIKey
- SRWNARROSMHNHS-KHLMPGFBSA-N
- Compound name
- [(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-phosphonooxypropyl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 811.62111 | 296.4 |
[M+Na]+ | 833.60305 | 297.3 |
[M+NH4]+ | 828.64765 | 300.0 |
[M+K]+ | 849.57699 | 299.2 |
[M-H]- | 809.60655 | 283.4 |
[M+Na-2H]- | 831.58850 | 293.5 |
[M]+ | 810.61328 | 293.9 |
[M]- | 810.61438 | 293.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.