FAIRMD Lipids

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

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

Property	Value
iupacName	9-[(2R)-1-hexadecanoyloxy-3-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxypropan-2-yl]oxy-9-oxononanoate
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)/p-1/t30-/m1/s1
inChIKey	GHQQYDSARXURNG-SSEXGKCCSA-M
molecularFormula	C33H63NO10P-
molecularWeight	664.8
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=86289475&t=l

Database	External ID
ChEBI	CHEBI:78207
metabolights	MTBLC78207
pubchem.compound	86289475
slm	SLM:000501348

1-hexadecanoyl-2-(8-carboxylatooctanoyl)-sn-glycero-3-phosphocholine(1−)
1-hexadecanoyl-2-(9-oxo-9-oxidononanoyl)-sn-glycero-3-phosphocholine(1−)
1-palmitoyl-2-(8-carboxylatooctanoyl)phosphatidylcholine(1−)

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/31",
    "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 deprotonated",
    "url": "https://databank.nmrlipids.fi/lipid/31",
    "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)/p-1/t30-/m1/s1",
    "inChIKey": "GHQQYDSARXURNG-SSEXGKCCSA-M",
    "iupacName": "9-[(2R)-1-hexadecanoyloxy-3-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxypropan-2-yl]oxy-9-oxononanoate",
    "molecularFormula": "C33H63NO10P-",
    "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)[O-]",
    "alternateName": [
        "1-hexadecanoyl-2-(8-carboxylatooctanoyl)-sn-glycero-3-phosphocholine(1\u2212)",
        "1-hexadecanoyl-2-(9-oxo-9-oxidononanoyl)-sn-glycero-3-phosphocholine(1\u2212)",
        "1-palmitoyl-2-(8-carboxylatooctanoyl)phosphatidylcholine(1\u2212)"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=86289475&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:78207",
        "https://identifiers.org/metabolights/MTBLC78207",
        "https://identifiers.org/pubchem.compound/86289475",
        "https://identifiers.org/slm/SLM:000501348"
    ]
}