FAIRMD Lipids

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

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

Property	Value
iupacName	2-azaniumylethyl (2R)-3-(hexadecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphate
smiles	[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
inChI	InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1
inChIKey	CZOSTDZGCCEZTJ-WMHOIYFHSA-N
molecularFormula	C37H72NO8P
molecularWeight	689.94

Database	External ID
ChEBI	CHEBI:73999
lipidmaps	LMGP02011228
metabolights	MTBLC73999
pubchem.compound	52924925
slm	SLM:000000661

⏵ 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-(16:0)-2-(16:1$^\\Delta9$)-sn-glycero-3-phosphoethanolamine",
    "url": "https://databank.nmrlipids.fi/lipid/63",
    "inChI": "InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1",
    "inChIKey": "CZOSTDZGCCEZTJ-WMHOIYFHSA-N",
    "iupacName": "2-azaniumylethyl (2R)-3-(hexadecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphate",
    "molecularFormula": "C37H72NO8P",
    "smiles": "[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\\CCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O",
    "alternateName": [],
    "sameAs": [
        "https://identifiers.org/ChEBI/CHEBI:73999",
        "https://identifiers.org/lipidmaps/LMGP02011228",
        "https://identifiers.org/metabolights/MTBLC73999",
        "https://identifiers.org/pubchem.compound/52924925",
        "https://identifiers.org/slm/SLM:000000661"
    ]
}