FAIRMD Lipids

Lipid 1',3'-bis-[1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol

Name	1',3'-bis-[1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
Molecule	PVCL
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Show on GitHub	Molecules/membrane/PVCL main

Property	Value
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9
iupacName	[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate
smiles	P(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O
inChI	InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1
inChIKey	JUCXSYKLUQLDIW-KGVAMPRLSA-N
molecularFormula	C77H146O17P2
molecularWeight	1405.9

Database	External ID
ChEBI	CHEBI:137162
lipidmaps	LMGP12010006
pubchem.compound	9547189
slm	SLM:000509264

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/22",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1',3'-bis-[1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol",
    "url": "https://databank.nmrlipids.fi/lipid/22",
    "inChI": "InChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h25-26,29-30,71-73,78H,5-24,27-28,31-70H2,1-4H3,(H,83,84)(H,85,86)/b29-25-,30-26-/t72-,73-/m1/s1",
    "inChIKey": "JUCXSYKLUQLDIW-KGVAMPRLSA-N",
    "iupacName": "[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (Z)-octadec-11-enoate",
    "molecularFormula": "C77H146O17P2",
    "smiles": "P(OC[C@]([H])(OC(CCCCCCCCC/C=C\\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)=O)=O",
    "alternateName": [],
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:137162",
        "https://identifiers.org/lipidmaps/LMGP12010006",
        "https://identifiers.org/pubchem.compound/9547189",
        "https://identifiers.org/slm/SLM:000509264"
    ]
}