Basic information
- CAS
120578-22-5- Standard SMILES
CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN- InChIKey
IZDRGPDUDLWAGR-MRXNPFEDSA-N- Molecular formula
- C17H36NO7P
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.22293949
Overview
PE(12:0/0:0) is a 1-acyl-sn-glycero-3-phosphoethanolamine.
Names & identifiers
- Preferred name
- 1-Dodecanoyl-sn-glycerophosphoethanolamine
- IUPAC
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoate
- English name
- 1-Dodecanoyl-sn-glycerophosphoethanolamine
- Molecular formula
- C17H36NO7P
- Molecular weight
- 397.44
Names & synonyms
120578-22-51-Dodecanoyl-sn-glycerophosphoethanolamineDTXSID20152914Dodecanoic acid, 3-(((2-aminoethoxy)hydroxyphosphinyl)oxy)-2-hydroxypropyl ester, (R)-Dodecanoic acid, 3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (R)-RefChem:907581DTXCID40754051-dodecanoyl-sn-glycero-3-phosphoethanolamine[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoateLysolpePE(12:0/0:0)C12-Lpe
Show more names
12:0 LYSO PEDodecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester
1-Lauroyl-sn-glycero-3-phosphoethanolamineLPE 12:0LysolauroylphosphatidylethanolamineMonolauroylphosphatidylethanolaminelysoPE 12:0orb1986793SCHEMBL30288377CHEBI:168574
Database identifiers
- CAS
120578-22-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Monoacylglycerophosphoethanolamines [GP0205]
Physicochemical properties
- Boiling point
- 533.899 · 533.899±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.138 · 1.138±0.50(predicted)
Chemistry & industry
Suppliers3 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
Additional notes
DefinitionChEBI: PE(12:0/0:0) is a 1-acyl-sn-glycero-3-phosphoethanolamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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