Structure Database (LMSD)
Common Name
PE-NMe(11:0/11:0)
Systematic Name
1,2-diundecanoyl-sn-glycero-3-phospho-N-methylethanolamine
Synonyms
- Undecanoic acid, 1-(3-hydroxy-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl ester, (R)-
- Undecanoic acid, 1-(3-hydroxy-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl ester, P-oxide, (R)-
- PE-NMe(22:0)
- PE-NMe(11:0/11:0)
LM ID
LMGP02010348
Formula
Exact Mass
Calculate m/z
565.374357
Sum Composition
Abbrev Chains
PE-NMe 11:0_11:0
Status
Curated
3D model of PE-NMe(11:0/11:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NDUYEVMUOMXUTP-AREMUKBSSA-N
InChi (Click to copy)
InChI=1S/C28H56NO8P/c1-4-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29-3)37-28(31)21-19-17-15-13-11-9-7-5-2/h26,29H,4-25H2,1-3H3,(H,32,33)/t26-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCNC)([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
588.83
Topological Polar Surface Area
120.39
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
logP
8.45
Molar Refractivity
153.28
Admin
Created at
-
Updated at
14th Mar 2025
LIPID MAPS® abbreviations for glycerophospholipids (GP)
The LIPID MAPS® glycerophospholipid abbreviations (PC, PE, etc.) are used here to refer to species with one or two radyl side-chains where the structures of the side chains are indicated within parentheses in the 'Headgroup(sn1/sn2)' format (e.g. PC(16:0/18:1(9Z)). By default, R stereochemistry at the C-2 carbon of glycerol and attachment of the headgroup at the sn3 position is assumed. Also, acyl chains are assumed by default. The 'O-' prefix is used to indicate the presence of an alkyl ether substituent e.g. PC(O-16:0/18:1(9Z)), whereas the 'P-' prefix is used for the 1Z-alkenyl ether (Plasmalogen) substituent e.g. PC(P-16:0/18:1(9Z)).
For molecules with opposite (S) stereochemistry at C2 of the glycerol group and attachment of the headgroup at the sn1 position, the stereochemistry specification of [S] is appended to the abbreviation. The 'Headgroup(sn3/sn2)' abbreviation format is used.
For molecules with unknown stereochemistry at the C-2 carbon of the glycerol group, the stereochemistry specification of [U] is appended to the abbreviation and the structure is drawn with C-2 stereochemistry unspecified.
The LIPID MAPS® glycerophospholipid abbreviations (PC, PE, etc.) are used here to refer to species with one or two radyl side-chains where the structures of the side chains are indicated within parentheses in the 'Headgroup(sn1/sn2)' format (e.g. PC(16:0/18:1(9Z)). By default, R stereochemistry at the C-2 carbon of glycerol and attachment of the headgroup at the sn3 position is assumed. Also, acyl chains are assumed by default. The 'O-' prefix is used to indicate the presence of an alkyl ether substituent e.g. PC(O-16:0/18:1(9Z)), whereas the 'P-' prefix is used for the 1Z-alkenyl ether (Plasmalogen) substituent e.g. PC(P-16:0/18:1(9Z)).
For molecules with opposite (S) stereochemistry at C2 of the glycerol group and attachment of the headgroup at the sn1 position, the stereochemistry specification of [S] is appended to the abbreviation. The 'Headgroup(sn3/sn2)' abbreviation format is used.
For molecules with unknown stereochemistry at the C-2 carbon of the glycerol group, the stereochemistry specification of [U] is appended to the abbreviation and the structure is drawn with C-2 stereochemistry unspecified.