FAIRMD Lipids

Lipid 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

Name	1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
Molecule	PVPG
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Show on GitHub	Molecules/membrane/PVPG main

Property	Value
iupacName	[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC
inChI	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1
inChIKey	ADYWCMPUNIVOEA-GPJPVTGXSA-N
molecularFormula	C40H77O10P
molecularWeight	749

Database	External ID
ChEBI	CHEBI:44946
lipidmaps	LMGP04010008
pdb.ligand	PGV
pubchem.compound	5289145
slm	SLM:000042037

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/19",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)",
    "url": "https://databank.nmrlipids.fi/lipid/19",
    "inChI": "InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1",
    "inChIKey": "ADYWCMPUNIVOEA-GPJPVTGXSA-N",
    "iupacName": "[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-11-enoate",
    "molecularFormula": "C40H77O10P",
    "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\\C=C/CCCCCC",
    "alternateName": [],
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:44946",
        "https://identifiers.org/lipidmaps/LMGP04010008",
        "https://identifiers.org/pdb.ligand/PGV",
        "https://identifiers.org/pubchem.compound/5289145",
        "https://identifiers.org/slm/SLM:000042037"
    ]
}