CID 52928306
Pi(18:0/22:4(7z,10z,13z,16z))
Structural Information
- Molecular Formula
- C49H87O13P
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,41,44-49,52-56H,3-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,28-26-/t41-,44?,45-,46?,47?,48?,49?/m1/s1
- InChIKey
- YHRFCKNOQBDBPJ-AKIRRARBSA-N
- Compound name
- [(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 915.59572 | 308.6 |
[M+Na]+ | 937.57766 | 303.7 |
[M-H]- | 913.58116 | 300.9 |
[M+NH4]+ | 932.62226 | 308.9 |
[M+K]+ | 953.55160 | 308.1 |
[M+H-H2O]+ | 897.58570 | 294.3 |
[M+HCOO]- | 959.58664 | 307.7 |
[M+CH3COO]- | 973.60229 | 306.7 |
[M+Na-2H]- | 935.56311 | 280.6 |
[M]+ | 914.58789 | 305.7 |
[M]- | 914.58899 | 305.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.