FAIRMD Lipids

Lipid 1-(16:0)-2-(16:1$^\Delta9$)-sn-glycero-3-phosphocholine

Name	1-(16:0)-2-(16:1$^\Delta9$)-sn-glycero-3-phosphocholine
Molecule	PYPC
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/PYPC main

Property	Value
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l
iupacName	[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
inChIKey	QIBZFHLFHCIUOT-NPBIGWJUSA-N
molecularFormula	C40H78NO8P
molecularWeight	732
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l

Database	External ID
ChEBI	CHEBI:74000
lipidmaps	LMGP01010566
metabolights	MTBLC74000
pubchem.compound	60023531
slm	SLM:000000652

(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
(2R)-3-(hexadecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
(R-(Z))-4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-9-hexadecenyl)oxy)-3,5,9-trioxa-4-phosphapentacosan-1-aminium, hydroxide, inner salt, 4-oxide
1-C16:0-2-C16:1(ω-7)-phosphatidylcholine
1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine
1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine zwitterion
1-hexadecanoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphocholine
1-palmitoyl-2-palmitoleoyl-GPC
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)
1-Palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine
GPC(16:0/16:1)
PC(16:0/16:1(9Z))
PC(16:0/16:1)
PC(16:0/16:1ω7)
PC(32:1)
Phosphatidylcholine(16:0/16:1)
Phosphatidylcholine(16:0/16:1ω7)
Phosphatidylcholine(32:1)
sn-1-palmitoyl-2-palmitoleoylphosphatidylcholine

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/56",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-(16:0)-2-(16:1$^\\Delta9$)-sn-glycero-3-phosphocholine",
    "url": "https://databank.nmrlipids.fi/lipid/56",
    "inChI": "InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1",
    "inChIKey": "QIBZFHLFHCIUOT-NPBIGWJUSA-N",
    "iupacName": "[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C40H78NO8P",
    "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCC",
    "alternateName": [
        "(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate",
        "(2R)-3-(hexadecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate",
        "(R-(Z))-4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-9-hexadecenyl)oxy)-3,5,9-trioxa-4-phosphapentacosan-1-aminium, hydroxide, inner salt, 4-oxide",
        "1-C16:0-2-C16:1(\u03c9-7)-phosphatidylcholine",
        "1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine",
        "1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine zwitterion",
        "1-hexadecanoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphocholine",
        "1-palmitoyl-2-palmitoleoyl-GPC",
        "1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)",
        "1-Palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine",
        "GPC(16:0/16:1)",
        "PC(16:0/16:1(9Z))",
        "PC(16:0/16:1)",
        "PC(16:0/16:1\u03c97)",
        "PC(32:1)",
        "Phosphatidylcholine(16:0/16:1)",
        "Phosphatidylcholine(16:0/16:1\u03c97)",
        "Phosphatidylcholine(32:1)",
        "sn-1-palmitoyl-2-palmitoleoylphosphatidylcholine"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=6443788&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:74000",
        "https://identifiers.org/lipidmaps/LMGP01010566",
        "https://identifiers.org/metabolights/MTBLC74000",
        "https://identifiers.org/pubchem.compound/60023531",
        "https://identifiers.org/slm/SLM:000000652"
    ]
}