FAIRMD Lipids

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

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

Property	Value
iupacName	[(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
inChI	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
inChIKey	IIZPXYDJLKNOIY-JXPKJXOSSA-N
molecularFormula	C44H80NO8P
molecularWeight	782.1
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l

Database	External ID
ChEBI	CHEBI:73003
lipidmaps	LMGP01012254
pubchem.compound	10747814

1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine
PAPC
PC 16:0/20:4(5Z,8Z,11Z,14Z)

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/27",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine",
    "url": "https://databank.nmrlipids.fi/lipid/27",
    "inChI": "InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1",
    "inChIKey": "IIZPXYDJLKNOIY-JXPKJXOSSA-N",
    "iupacName": "[(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C44H80NO8P",
    "smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C",
    "alternateName": [
        "1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine",
        "PAPC",
        "PC 16:0/20:4(5Z,8Z,11Z,14Z)"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=10747814&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:73003",
        "https://identifiers.org/lipidmaps/LMGP01012254",
        "https://identifiers.org/pubchem.compound/10747814"
    ]
}