FAIRMD Lipids

Lipid 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine protonated

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

Property	Value
iupacName	[(2R)-2-(8-carboxyoctanoyloxy)-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O
inChI	InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)/t30-/m1/s1
inChIKey	GHQQYDSARXURNG-SSEXGKCCSA-N
molecularFormula	C33H64NO10P
molecularWeight	665.8
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=46907870&t=l

Database	External ID
cas	117746-89-1
ChEBI	CHEBI:61817
lipidmaps	LMGP20010007
metabolights	MTBLC61817
pubchem.compound	46907870

1-O-palmitoyl-2-O-azelaoyl-sn-glycero-3-phosphocholine
16:0-09:0(ALDO)PC
16:0-09:0(ALDO)phosphocholine
2-O-azelaoyl-1-O-palmitoyl-sn-glycero-3-phosphocholine
PazePC

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/49",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine protonated",
    "url": "https://databank.nmrlipids.fi/lipid/49",
    "inChI": "InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)/t30-/m1/s1",
    "inChIKey": "GHQQYDSARXURNG-SSEXGKCCSA-N",
    "iupacName": "[(2R)-2-(8-carboxyoctanoyloxy)-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C33H64NO10P",
    "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O",
    "alternateName": [
        "1-O-palmitoyl-2-O-azelaoyl-sn-glycero-3-phosphocholine",
        "16:0-09:0(ALDO)PC",
        "16:0-09:0(ALDO)phosphocholine",
        "2-O-azelaoyl-1-O-palmitoyl-sn-glycero-3-phosphocholine",
        "PazePC"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=46907870&t=l",
    "sameAs": [
        "https://identifiers.org/cas/117746-89-1",
        "https://identifiers.org/ChEBI/CHEBI:61817",
        "https://identifiers.org/lipidmaps/LMGP20010007",
        "https://identifiers.org/metabolights/MTBLC61817",
        "https://identifiers.org/pubchem.compound/46907870"
    ]
}