Basic information
- CAS
59752-57-7- Standard SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC- InChIKey
ZLGYVWRJIZPQMM-HHHXNRCGSA-N- Molecular formula
- C29H58NO8P
- Average molar mass
- 579.7 g/mol
Overview
PE(12:0/12:0) is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- 1,2-Dilauroyl-sn-glycero-3-phosphoethanolamine
- IUPAC
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] dodecanoate
- English name
- 1,2-Dilauroyl-sn-glycero-3-phosphoethanolamine
- Molecular formula
- C29H58NO8P
- Molecular weight
- 579.75
Names & synonyms
1,2-Dilauroyl-sn-glycero-3-phosphoethanolamine59752-57-7D1O2S89PCE1,2-didodecanoyl-sn-glycero-3-phosphoethanolamineRefChem:1052277261-912-4DLPEMFCD00042828C29H58NO8PUNII-D1O2S89PCE(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl didodecanoateDilauroyl phosphatidylethanolamine
Show more names
12:0 PE12:0-SN-PEDLPE L-2112DLPE (12:0 PE)L-b,g-Dilauroyl-a-cephaliL-β,γ-Dilauroyl-α-cephalin
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-dodecanoyloxypropyl] dodecanoatePE 24:0PE(12:0/12:0)Dodecanoic acid,(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediylesterbeta,gamma-Dilauroyl-L-alpha-phosphatidylethanolamineDLEA(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate1,2-Dilauroyl-sn-glycero-3-PE
Database identifiers
- CAS
59752-57-7
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 31
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 634
Experimental & physicochemical properties
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]
Collision Cross Section238.5 Ų [M-H]-
Physicochemical properties
- Boiling point
- 646.2 · 646.2±65.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 3 mg/ml · Chloroform: 3 mg/ml
- form
- A crystalline solid
- pka
- 1.12 · 1.12±0.50(Predicted)
- color
- White to off-white
- InChI
- 1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)
- InChIKey
- ZLGYVWRJIZPQMM-UHFFFAOYSA-N
- SMILES
- [H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionPhosphatidylethanolamines (PEs) are phospholipids found in biological membranes, serving both structural and functional roles. Different types of PE are commonly used in the generation of micelles, liposomes, and other types of artificial membranes. 1,2-Dilauroyl-sn-glycero-3-PE (DLPE) is a phospholipid containing the medium-chain (12:0) lauric acid inserted at the sn-1 and sn-2 positions.
UsesDLPE is used in the preparation of nano-liposome which is used as agricultural auxiliary in field of pesticide and fertilizer.
Suppliers39 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北魏氏化学试剂股份有限公司
Related reactions
1 records
Compound notes
Loading…