FAIRMD Lipids

Lipid 1-Palmitoyl-2-isolinoleoyl phosphatidylcholine

Name	1-Palmitoyl-2-isolinoleoyl phosphatidylcholine
Molecule	PILPC
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/PILPC main

Property	Value
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
inChI	InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1
inChIKey	NVWYLRLKCCCUBZ-PNKFPDHGSA-N
molecularFormula	C42H80NO8P
molecularWeight	758.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l

Database	External ID
ChEBI	CHEBI:179027
lipidmaps	LMGP01010589
pubchem.compound	6439299

1-hexadecanoyl-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphocholine
PC(16:0/18:2(6Z,9Z))
PiLPC

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/PILPC",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-Palmitoyl-2-isolinoleoyl phosphatidylcholine",
    "url": "https://databank.nmrlipids.fi/lipid/PILPC",
    "inChI": "InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,25,27,40H,6-19,22-24,26,28-39H2,1-5H3/b21-20-,27-25-/t40-/m1/s1",
    "inChIKey": "NVWYLRLKCCCUBZ-PNKFPDHGSA-N",
    "iupacName": "[(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C42H80NO8P",
    "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\\C/C=C\\CCCCCCCC",
    "alternateName": [
        "1-hexadecanoyl-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphocholine",
        "PC(16:0/18:2(6Z,9Z))",
        "PiLPC"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:179027",
        "https://identifiers.org/lipidmaps/LMGP01010589",
        "https://identifiers.org/pubchem.compound/6439299"
    ]
}