PubChemLite - 1'-[1,2-di-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(5z,8z,11z,14z-eicosatetraenoyl)-2-(9z,12z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol (C87H142O17P2)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](COP(=O)(O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O

InChI

InChI=1S/C87H142O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h21-28,33-39,43-48,50,55-56,58-60,62,81-83,88H,5-20,29-32,40-42,49,51-54,57,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b25-21-,26-22-,27-23-,28-24-,37-33-,38-34-,39-35-,43-36-,47-44-,48-45-,50-46-,59-55-,60-56-,62-58-/t81-,82+,83+/m0/s1

InChIKey

WGOGPVLEAHWMPV-FLSMDLGBSA-N

Compound name

[(2R)-3-[[(2S)-3-[[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Related CIDs

Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1521.9795	419.0
[M+Na]+	1543.9614	418.8
[M+NH4]+	1539.0060	430.9
[M+K]+	1559.9354	427.3
[M-H]-	1519.9649	413.3
[M+Na-2H]-	1541.9469	410.8
[M]+	1520.9717	421.4
[M]-	1520.9727	421.4

1'-[1,2-di-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(5z,8z,11z,14z-eicosatetraenoyl)-2-(9z,12z-octadecadienoyl)-sn-glycero-3-phospho]-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe