FAIRMD Lipids

Lipid 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate

Name	1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate
Molecule	PVPA
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Show on GitHub	Molecules/membrane/PVPA main

Property	Value
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9
iupacName	[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate
smiles	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
inChI	InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1
inChIKey	YDFKTEAAIYLUQP-JUOLSMOWSA-N
molecularFormula	C37H71O8P
molecularWeight	674.9

Database	External ID
ChEBI	CHEBI:89530
lipidmaps	LMGP10010007
pubchem.compound	9547158
slm	SLM:000026217

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/12",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphate",
    "url": "https://databank.nmrlipids.fi/lipid/12",
    "inChI": "InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,35H,3-12,14,16-34H2,1-2H3,(H2,40,41,42)/b15-13-/t35-/m1/s1",
    "inChIKey": "YDFKTEAAIYLUQP-JUOLSMOWSA-N",
    "iupacName": "[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl](Z)-octadec-11-enoate",
    "molecularFormula": "C37H71O8P",
    "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\\CCCCCC",
    "alternateName": [],
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:89530",
        "https://identifiers.org/lipidmaps/LMGP10010007",
        "https://identifiers.org/pubchem.compound/9547158",
        "https://identifiers.org/slm/SLM:000026217"
    ]
}