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

Database	External ID
ChEBI	CHEBI:84928
lipidmaps	LMGP01010535
pubchem.compound	10134146

PC(16:0/22:6)
PDPC

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/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://databank.nmrlipids.fi/lipid/51",
    "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",
    "iupacName": "[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C48H84NO8P",
    "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",
    "alternateName": [
        "PC(16:0/22:6)",
        "PDPC"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10134146&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:84928",
        "https://identifiers.org/lipidmaps/LMGP01010535",
        "https://identifiers.org/pubchem.compound/10134146"
    ]
}