FAIRMD Lipids

Lipid 1’,3’-Bis[1,2-dioleoyl-sn-glycero-3-phospho]-glycerol

Name	1’,3’-Bis[1,2-dioleoyl-sn-glycero-3-phospho]-glycerol
Molecule	TOCL
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/TOCL main

Property	Value
iupacName	[(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
smiles	CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\\CCCCCCCC)COC(=O)CCCCCCC/C=C\\CCCCCCCC)O)O
inChI	InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1
inChIKey	TWHQNHQPSCPQNY-WVRHUKEESA-N
molecularFormula	C81H150O17P2
molecularWeight	1458
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=46931152&t=l

Database	External ID
ChEBI	CHEBI:60356
lipidmaps	LMGP12010525
metabolights	MTBLC60356
pdb.ligand	QSR
pubchem.compound	46931152
slm	SLM:000389835

1,1'2,2'-tetraoleoyl cardiolipin
1,1'2,2'-tetraoleoylcardiolipin
1,1'2,2'-tetraoleyl cardiolipin
1,1'2,2'-tetraoleylcardiolipin
tetraoleoyl cardiolipin
tetraoleoylcardiolipin
tetraoleylcardiolipin

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/TOCL",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1\u2019,3\u2019-Bis[1,2-dioleoyl-sn-glycero-3-phospho]-glycerol",
    "url": "https://databank.nmrlipids.fi/lipid/TOCL",
    "inChI": "InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1",
    "inChIKey": "TWHQNHQPSCPQNY-WVRHUKEESA-N",
    "iupacName": "[(2R)-3-[[3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate",
    "molecularFormula": "C81H150O17P2",
    "smiles": "CCCCCCCC/C=C\\\\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\\\\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\\\\CCCCCCCC)COC(=O)CCCCCCC/C=C\\\\CCCCCCCC)O)O",
    "alternateName": [
        "1,1'2,2'-tetraoleoyl cardiolipin",
        "1,1'2,2'-tetraoleoylcardiolipin",
        "1,1'2,2'-tetraoleyl cardiolipin",
        "1,1'2,2'-tetraoleylcardiolipin",
        "tetraoleoyl cardiolipin",
        "tetraoleoylcardiolipin",
        "tetraoleylcardiolipin"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=46931152&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:60356",
        "https://identifiers.org/lipidmaps/LMGP12010525",
        "https://identifiers.org/metabolights/MTBLC60356",
        "https://identifiers.org/pdb.ligand/QSR",
        "https://identifiers.org/pubchem.compound/46931152",
        "https://identifiers.org/slm/SLM:000389835"
    ]
}