PubChemLite - 1'-[1-(9z-octadecenoyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol (C83H144O17P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C83H144O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-49-53-57-61-65-69-82(87)99-78(73-93-80(85)67-63-59-55-51-47-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-81(86)68-64-60-56-52-48-44-40-35-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2/h21-22,25-26,33-37,40-42,45-46,53-54,57-58,77-79,84H,5-20,23-24,27-32,38-39,43-44,47-52,55-56,59-76H2,1-4H3,(H,89,90)(H,91,92)/b25-21-,26-22-,36-33-,37-34-,40-35-,45-41-,46-42-,57-53-,58-54-/t77-,78+,79+/m0/s1

InChIKey

YFTKDXJLWQIEGS-BAOWNCOXSA-N

Compound name

[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

Related CIDs

Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1475.9952	414.8
[M+Na]+	1497.9771	413.0
[M+NH4]+	1493.0217	426.4
[M+K]+	1513.9511	422.1
[M-H]-	1473.9806	406.7
[M+Na-2H]-	1495.9626	405.9
[M]+	1474.9874	416.1
[M]-	1474.9884	416.1

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe