FAIRMD Lipids

Lipid 1,2-dimyristoyl-3-trimethylammonium-propane

Name	1,2-dimyristoyl-3-trimethylammonium-propane
Molecule	DMTAP
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/DMTAP main

Property	Value
iupacName	2,3-di(tetradecanoyloxy)propyl-trimethylazanium
smiles	CCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
inChI	InChI=1S/C34H68NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-33(36)38-31-32(30-35(3,4)5)39-34(37)29-27-25-23-21-19-17-15-13-11-9-7-2/h32H,6-31H2,1-5H3/q+1
inChIKey	IGKWQNBUDQUOJB-UHFFFAOYSA-N
molecularFormula	C34H68NO4+
molecularWeight	554.9
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9807745&t=l

Database	External ID
pubchem.compound	14763875

(2S)-N,N,N-Trimethyl-2,3-bis[(1-oxotetradecyl)oxy]-1-propanaminium
1-Propanaminium, N,N,N-trimethyl-2,3-bis[(1-oxotetradecyl)oxy]-
72719-83-6
DTXSID00430969
PD205667
SCHEMBL14216662

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/55",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1,2-dimyristoyl-3-trimethylammonium-propane",
    "url": "https://databank.nmrlipids.fi/lipid/55",
    "inChI": "InChI=1S/C34H68NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-33(36)38-31-32(30-35(3,4)5)39-34(37)29-27-25-23-21-19-17-15-13-11-9-7-2/h32H,6-31H2,1-5H3/q+1",
    "inChIKey": "IGKWQNBUDQUOJB-UHFFFAOYSA-N",
    "iupacName": "2,3-di(tetradecanoyloxy)propyl-trimethylazanium",
    "molecularFormula": "C34H68NO4+",
    "smiles": "CCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC",
    "alternateName": [
        "(2S)-N,N,N-Trimethyl-2,3-bis[(1-oxotetradecyl)oxy]-1-propanaminium",
        "1-Propanaminium, N,N,N-trimethyl-2,3-bis[(1-oxotetradecyl)oxy]-",
        "72719-83-6",
        "DTXSID00430969",
        "PD205667",
        "SCHEMBL14216662"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9807745&t=l",
    "sameAs": [
        "https://identifiers.org/pubchem.compound/14763875"
    ]
}