FAIRMD Lipids

Lipid 1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine

Name	1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
Molecule	PDPC
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/PDPC main

Property	Value
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(50)56-43-41-58-59(53,54)57-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38H,6-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-44H2,1-5H3,(H,53,54)
inChIKey	XMUJYVYVJAGKIS-UHFFFAOYSA-N
molecularFormula	C48H84NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l
iupacName	1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
inChIKey	IESVDEZGAHUQJU-ZLBXKVHBSA-N
molecularFormula	C46H80NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6441886&t=l
iupacName	1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
inChIKey	IESVDEZGAHUQJU-ZLBXKVHBSA-N
molecularFormula	C46H80NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6441886&t=l
iupacName	1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
inChIKey	IESVDEZGAHUQJU-ZLBXKVHBSA-N
molecularFormula	C46H80NO8P
molecularWeight	806.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6441886&t=l

Database	External ID
ChEBI	CHEBI:74963
ChEBI	CHEBI:84928
lipidmaps	LMGP01010535
lipidmaps	LMGP01012137
pubchem.compound	10134146
pubchem.compound	6441886
slm	SLM:000000805

PC(16:0/22:6)
PDPC

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://lipids.fairmd.org/lipid/51",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine",
    "url": "https://lipids.fairmd.org/lipid/51",
    "inChI": "InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1",
    "inChIKey": "IESVDEZGAHUQJU-ZLBXKVHBSA-N",
    "iupacName": "1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine",
    "molecularFormula": "C46H80NO8P",
    "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CC",
    "alternateName": [
        "PC(16:0/22:6)",
        "PDPC"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6441886&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:74963",
        "https://identifiers.org/ChEBI/CHEBI:84928",
        "https://identifiers.org/lipidmaps/LMGP01010535",
        "https://identifiers.org/lipidmaps/LMGP01012137",
        "https://identifiers.org/pubchem.compound/10134146",
        "https://identifiers.org/pubchem.compound/6441886",
        "https://identifiers.org/slm/SLM:000000805"
    ]
}