Structure Database (LMSD)

Common Name
PC(O-10:1(9E)/0:0)
Systematic Name
1-(9E-decenyl)-sn-glycero-3-phosphocholine
Synonyms
  • PC(O-10:1/0:0)
  • LPC(O-10:1)
LM ID
LMGP01060027
Formula
Exact Mass
Calculate m/z
395.243677
Sum Composition
Abbrev Chains
LPC O-10:1
Status
Active


Classification

Reactions

Filter by species:
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

String Representations

InChiKey (Click to copy)
XNDMKOYJBQLIFZ-GOSISDBHSA-N
InChi (Click to copy)
InChI=1S/C18H38NO6P/c1-5-6-7-8-9-10-11-12-14-23-16-18(20)17-25-26(21,22)24-15-13-19(2,3)4/h5,18,20H,1,6-17H2,2-4H3/t18-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COCCCCCCCCC=C

Other Databases

LIPIDAT ID
11663
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 400.89
Topological Polar Surface Area 88.05
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.20
Molar Refractivity 104.71

Admin

Created at
-
Updated at
25th Apr 2022
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.