FAIRMD Lipids

Lipid 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine

Name	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
Molecule	DOPE
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/DOPE main

Property	Value
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l
iupacName	[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
molecularFormula	C41H78NO8P
molecularWeight	744
inChI	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
inChIKey	MWRBNPKJOOWZPW-NYVOMTAGSA-N
smiles	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l

Database	External ID
ChEBI	CHEBI:84839
lipidmaps	LMGP02010052
metabolights	MTBLC74986
pdb.ligand	PEE
pubchem.compound	9546757
slm	SLM:000034898

GPEtn(18:1/18:1)
GPEtn(18:1n9/18:1n9)
GPEtn(18:1w9/18:1w9)
PE(18:1(9Z)/18:1(9Z))
PE(18:1/18:1)
Phophatidylethanolamine(18:1n9/18:1n9)
Phophatidylethanolamine(18:1w9/18:1w9)

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/35",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1,2-dioleoyl-sn-glycero-3-phosphoethanolamine",
    "url": "https://databank.nmrlipids.fi/lipid/35",
    "inChI": "InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1",
    "inChIKey": "MWRBNPKJOOWZPW-NYVOMTAGSA-N",
    "iupacName": "[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate",
    "molecularFormula": "C41H78NO8P",
    "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC",
    "alternateName": [
        "GPEtn(18:1/18:1)",
        "GPEtn(18:1n9/18:1n9)",
        "GPEtn(18:1w9/18:1w9)",
        "PE(18:1(9Z)/18:1(9Z))",
        "PE(18:1/18:1)",
        "Phophatidylethanolamine(18:1n9/18:1n9)",
        "Phophatidylethanolamine(18:1w9/18:1w9)"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=9546757&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:84839",
        "https://identifiers.org/lipidmaps/LMGP02010052",
        "https://identifiers.org/metabolights/MTBLC74986",
        "https://identifiers.org/pdb.ligand/PEE",
        "https://identifiers.org/pubchem.compound/9546757",
        "https://identifiers.org/slm/SLM:000034898"
    ]
}