CID 131769387
Cl(20:4(5z,8z,11z,14z)/22:6(4z,7z,10z,13z,16z,19z)/22:6(4z,7z,10z,13z,16z,19z)/20:4(5z,8z,11z,14z))
Structural Information
- Molecular Formula
- C93H142O17P2
- SMILES
- CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](COP(=O)(O)OC[C@@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
- InChI
- InChI=1S/C93H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-50-54-58-62-66-70-74-78-91(96)104-84-88(109-92(97)79-75-71-67-63-59-55-51-46-40-36-32-28-24-20-16-12-8-4)85-107-111(99,100)105-81-87(94)82-106-112(101,102)108-86-89(83-103-90(95)77-73-69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)110-93(98)80-76-72-68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-28,33-40,43-44,47-49,51,53-56,58,60-61,63,65-68,70,72,87-89,94H,5-8,11-12,15-20,29-32,41-42,45-46,50,52,57,59,62,64,69,71,73-86H2,1-4H3,(H,99,100)(H,101,102)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,47-43-,48-44-,53-49-,55-51-,58-54-,60-56-,65-61-,67-63-,70-66-,72-68-/t87-,88-,89-/m1/s1
- InChIKey
- CIBYYAUXINTLNH-XUUXTALYSA-N
- Compound name
- [(2R)-3-[[(2R)-3-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1593.9795 | 426.1 |
[M+Na]+ | 1615.9614 | 427.6 |
[M+NH4]+ | 1611.0060 | 438.4 |
[M+K]+ | 1631.9354 | 435.3 |
[M-H]- | 1591.9649 | 422.9 |
[M+Na-2H]- | 1613.9469 | 418.4 |
[M]+ | 1592.9717 | 429.6 |
[M]- | 1592.9727 | 429.6 |
Literature stripe
Patent stripe
No patent data available for this compound.