Cl(18:2(9z,12z)/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

C₉₁H₁₄₂O₁₇P₂

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=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)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C91H142O17P2/c1-5-9-13-17-21-25-29-33-37-40-42-45-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-46-43-41-38-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-36-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-44-39-35-31-27-23-19-15-11-7-3/h9-10,13-14,21-28,33-39,42-43,45-47,49,52-54,56,58,61,64-66,68,70,85-87,92H,5-8,11-12,15-20,29-32,40-41,44,48,50-51,55,57,59-60,62-63,67,69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b13-9-,14-10-,25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,45-42-,46-43-,47-36-,53-49-,56-52-,58-54-,65-61-,68-64-,70-66-/t85-,86+,87+/m0/s1

InChIKey

XVROZEVTRAZIMR-LEFPIMEESA-N

Compound name

[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Related CIDs

• CID 131769099