CID 52924668
Pe(20:5(5z,8z,11z,14z,17z)/15:1(9z))
Structural Information
- Molecular Formula
- C40H68NO8P
- SMILES
- CCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN
- InChI
- InChI=1S/C40H68NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,20-21,24,26,38H,3-4,6,8-10,15-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,14-12-,18-17-,21-20-,26-24-/t38-/m1/s1
- InChIKey
- RSGSFXSYXCEAKI-SFXLEAHPSA-N
- Compound name
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-pentadec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 722.47554 | 269.0 |
[M+Na]+ | 744.45748 | 274.8 |
[M-H]- | 720.46098 | 264.0 |
[M+NH4]+ | 739.50208 | 275.1 |
[M+K]+ | 760.43142 | 274.1 |
[M+H-H2O]+ | 704.46552 | 259.2 |
[M+HCOO]- | 766.46646 | 273.2 |
[M+CH3COO]- | 780.48211 | 280.9 |
[M+Na-2H]- | 742.44293 | 250.2 |
[M]+ | 721.46771 | 264.4 |
[M]- | 721.46881 | 264.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.