CID 131769769
Cl(22:6(4z,7z,10z,13z,16z,19z)/20:4(5z,8z,11z,14z)/22:6(4z,7z,10z,13z,16z,19z)/22:6(4z,7z,10z,13z,16z,19z))
Structural Information
- Molecular Formula
- C95H142O17P2
- SMILES
- CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O
- InChI
- InChI=1S/C95H142O17P2/c1-5-9-13-17-21-25-29-33-37-41-44-48-51-55-59-63-67-71-75-79-92(97)105-85-90(111-94(99)81-77-73-69-65-61-57-53-47-40-36-32-28-24-20-16-12-8-4)87-109-113(101,102)107-83-89(96)84-108-114(103,104)110-88-91(112-95(100)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-3)86-106-93(98)80-76-72-68-64-60-56-52-49-45-42-38-34-30-26-22-18-14-10-6-2/h9-11,13-15,21-28,33-40,44-46,48-50,53,55-60,62,65,67-72,74,89-91,96H,5-8,12,16-20,29-32,41-43,47,51-52,54,61,63-64,66,73,75-88H2,1-4H3,(H,101,102)(H,103,104)/b13-9-,14-10-,15-11-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,40-36-,48-44-,49-45-,50-46-,57-53-,59-55-,60-56-,62-58-,69-65-,71-67-,72-68-,74-70-/t89-,90+,91+/m0/s1
- InChIKey
- UGPBKPKJBNLYNU-GKLNQBKYSA-N
- Compound name
- [(2R)-3-[[(2S)-3-[[(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propoxy]-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]+ | 1617.9795 | 428.2 |
[M+Na]+ | 1639.9614 | 430.1 |
[M+NH4]+ | 1635.0060 | 440.6 |
[M+K]+ | 1655.9354 | 437.6 |
[M-H]- | 1615.9649 | 425.7 |
[M+Na-2H]- | 1637.9469 | 420.6 |
[M]+ | 1616.9717 | 432.0 |
[M]- | 1616.9727 | 432.0 |
Literature stripe
Patent stripe
No patent data available for this compound.