FAIRMD Lipids

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

Name	1-stearyl-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-[(9Z,11Z,13Z,15Z,17Z,19E)-docosa-9,11,13,15,17,19-hexaenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
smiles	[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C=C/C=C\C=C/C=C\C=C\CC)=O)COC(CCCCCCCCCCCCCCCCC)=O
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/h8,10,12,14,16,18,20,22-25,27,46H,6-7,9,11,13,15,17,19,21,26,28-45H2,1-5H3/b10-8+,14-12-,18-16-,22-20-,24-23-,27-25-/t46-/m1/s1
inChIKey	YZEGHVUBSYVNCN-CVCSLSNUSA-N
molecularFormula	C48H84NO8P
molecularWeight	834.2
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778878&t=l

Database	External ID
ChEBI	CHEBI:84830
lipidmaps	LMGP01010823
metabolights	MTBLC84830
pubchem.compound	24778878

PC(18:0/22:6(9Z,11Z,13Z,15Z,17Z,19))
PC(18:0/22:6)

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/SDPC",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "1-stearyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine",
    "url": "https://databank.nmrlipids.fi/lipid/SDPC",
    "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/h8,10,12,14,16,18,20,22-25,27,46H,6-7,9,11,13,15,17,19,21,26,28-45H2,1-5H3/b10-8+,14-12-,18-16-,22-20-,24-23-,27-25-/t46-/m1/s1",
    "inChIKey": "YZEGHVUBSYVNCN-CVCSLSNUSA-N",
    "iupacName": "[(2R)-2-[(9Z,11Z,13Z,15Z,17Z,19E)-docosa-9,11,13,15,17,19-hexaenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate",
    "molecularFormula": "C48H84NO8P",
    "smiles": "[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\\C=C/C=C\\C=C/C=C\\C=C\\CC)=O)COC(CCCCCCCCCCCCCCCCC)=O",
    "alternateName": [
        "PC(18:0/22:6(9Z,11Z,13Z,15Z,17Z,19))",
        "PC(18:0/22:6)"
    ],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=24778878&t=l",
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:84830",
        "https://identifiers.org/lipidmaps/LMGP01010823",
        "https://identifiers.org/metabolights/MTBLC84830",
        "https://identifiers.org/pubchem.compound/24778878"
    ]
}