FAIRMD Lipids

Lipid N-stearoyl-D-erythro-sphingosylphosphorylcholine

Name	N-stearoyl-D-erythro-sphingosylphosphorylcholine
Molecule	SM18
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/SM18 main

Property	Value
iupacName	[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
inChI	InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1
inChIKey	LKQLRGMMMAHREN-YJFXYUILSA-N
molecularFormula	C41H83N2O6P
molecularWeight	731.1
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL1609656?dimensions=200

Database	External ID
ChEBI	CHEBI:83358
ChEMBL	CHEMBL1609656
lipidmaps	LMSP03010001
metabolights	MTBLC83358
pubchem.compound	6453725
slm	SLM:000395267

(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
2,3-(N-Steroylsphingosyl)-1-phosphocholine
2,3-Sppc
C18 Sphingomyelin
N-octadecanoylsphing-4-enine-1-phosphocholine
N-octadecanoylsphingosine-1-phosphocholine
N-stearoylsphing-4-enine-1-phosphocholine
SM(d18:1/18:0)
sphingomyelin (d18:1/18:0)
stearoyl sphingomyelin

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/42",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "N-stearoyl-D-erythro-sphingosylphosphorylcholine",
    "url": "https://databank.nmrlipids.fi/lipid/42",
    "inChI": "InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1",
    "inChIKey": "LKQLRGMMMAHREN-YJFXYUILSA-N",
    "iupacName": "[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C41H83N2O6P",
    "smiles": "CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O",
    "alternateName": [
        "(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate",
        "2,3-(N-Steroylsphingosyl)-1-phosphocholine",
        "2,3-Sppc",
        "C18 Sphingomyelin",
        "N-octadecanoylsphing-4-enine-1-phosphocholine",
        "N-octadecanoylsphingosine-1-phosphocholine",
        "N-stearoylsphing-4-enine-1-phosphocholine",
        "SM(d18:1/18:0)",
        "sphingomyelin (d18:1/18:0)",
        "stearoyl sphingomyelin"
    ],
    "image": "https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL1609656?dimensions=200",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:83358",
        "https://identifiers.org/ChEMBL/CHEMBL1609656",
        "https://identifiers.org/lipidmaps/LMSP03010001",
        "https://identifiers.org/metabolights/MTBLC83358",
        "https://identifiers.org/pubchem.compound/6453725",
        "https://identifiers.org/slm/SLM:000395267"
    ]
}