FAIRMD Lipids

Lipid N-palmitoyl-D-erythro-sphingosylphosphorylcholine

Name	N-palmitoyl-D-erythro-sphingosylphosphorylcholine
Molecule	SM16
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/SM16 main

Property	Value
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200
iupacName	[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
molecularFormula	C39H79N2O6P
molecularWeight	703
inChI	InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
inChIKey	RWKUXQNLWDTSLO-GWQJGLRPSA-N
smiles	CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O
image	https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200

Database	External ID
ChEBI	CHEBI:78646
ChEMBL	CHEMBL4526394
lipidmaps	LMSP03010003
metabolights	MTBLC78646
pdb.ligand	HWP
pubchem.compound	9939941
slm	SLM:000389794

(2S,3R,4E)-2-(palmitoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
(2S,3R,4E)-3-hydroxy-2-(palmitoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
C16 sphingomyelin
C16-sphingomyelin
hexadecanoyl sphingomyelin
N-hexadecanoylsphing-4-enine-1-phosphocholine
N-hexadecanoylsphingomyelin
N-hexadecanoylsphingosine-1-phosphocholine
N-palmitoyl-D-erythro-sphingosylphosphorylcholine
N-palmitoylsphing-4-enine-1-phosphocholine
N-palmitoylsphingomyelin
N-palmitoylsphingosine-1-phosphocholine
Palmitoyl sphingomyelin
palmitoyl sphingomyelin (d18:1/16:0)
palmitoylsphingomyelin
SM(18:1/16:0)
SM(d18:1/16:0)
Sphingomyelin (d18:1/16:0)
sphingomyelin d18:1/16:0
sphingomyelin(d18:1/16:0)

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/57",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "N-palmitoyl-D-erythro-sphingosylphosphorylcholine",
    "url": "https://databank.nmrlipids.fi/lipid/57",
    "inChI": "InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1",
    "inChIKey": "RWKUXQNLWDTSLO-GWQJGLRPSA-N",
    "iupacName": "[(E,2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C39H79N2O6P",
    "smiles": "CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O",
    "alternateName": [
        "(2S,3R,4E)-2-(palmitoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate",
        "(2S,3R,4E)-3-hydroxy-2-(palmitoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate",
        "C16 sphingomyelin",
        "C16-sphingomyelin",
        "hexadecanoyl sphingomyelin",
        "N-hexadecanoylsphing-4-enine-1-phosphocholine",
        "N-hexadecanoylsphingomyelin",
        "N-hexadecanoylsphingosine-1-phosphocholine",
        "N-palmitoyl-D-erythro-sphingosylphosphorylcholine",
        "N-palmitoylsphing-4-enine-1-phosphocholine",
        "N-palmitoylsphingomyelin",
        "N-palmitoylsphingosine-1-phosphocholine",
        "Palmitoyl sphingomyelin",
        "palmitoyl sphingomyelin (d18:1/16:0)",
        "palmitoylsphingomyelin",
        "SM(18:1/16:0)",
        "SM(d18:1/16:0)",
        "Sphingomyelin (d18:1/16:0)",
        "sphingomyelin d18:1/16:0",
        "sphingomyelin(d18:1/16:0)"
    ],
    "image": "https://www.ebi.ac.uk/chembl/api/data/image/CHEMBL4526394?dimensions=200",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:78646",
        "https://identifiers.org/ChEMBL/CHEMBL4526394",
        "https://identifiers.org/lipidmaps/LMSP03010003",
        "https://identifiers.org/metabolights/MTBLC78646",
        "https://identifiers.org/pdb.ligand/HWP",
        "https://identifiers.org/pubchem.compound/9939941",
        "https://identifiers.org/slm/SLM:000389794"
    ]
}