FAIRMD Lipids

Lipid 1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine

Name	1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
Molecule	SDPC
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/SDPC main

Property	Value
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l
iupacName	(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
smiles	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
inChI	InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1
inChIKey	FAUYAENFVCNTAL-PFFNLMTBSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l

Database	External ID
ChEBI	CHEBI:84829
lipidmaps	LMGP01010821
pubchem.compound	24778876
slm	SLM:000013546

PC 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
PC(18:0/22:6)

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/63",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine",
    "url": "https://databank.nmrlipids.fi/lipid/63",
    "inChI": "InChI=1S/C48H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1",
    "inChIKey": "FAUYAENFVCNTAL-PFFNLMTBSA-N",
    "iupacName": "(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate",
    "molecularFormula": "C48H84NO8P",
    "smiles": "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CC",
    "alternateName": [
        "PC 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)",
        "PC(18:0/22:6)"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778876&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:84829",
        "https://identifiers.org/lipidmaps/LMGP01010821",
        "https://identifiers.org/pubchem.compound/24778876",
        "https://identifiers.org/slm/SLM:000013546"
    ]
}