Structure Database (LMSD)

Common Name
PC(O-8:0/2:0)
Systematic Name
1-octyl-2-acetyl-sn-glycero-3-phosphocholine
Synonyms
  • PAF
  • Platelet-activating factor
  • PC(O-10:0)
  • PC(O-8:0/2:0)
LM ID
LMGP01020129
Status
Active
Exact Mass
Calculate m/z
411.238592
Formula
Abbrev
Abbrev Chains
PC O-8:0/2:0



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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GNSZJQDOCBSIJN-GOSISDBHSA-N
InChi (Click to copy)
InChI=1S/C18H38NO7P/c1-6-7-8-9-10-11-13-23-15-18(26-17(2)20)16-25-27(21,22)24-14-12-19(3,4)5/h18H,6-16H2,1-5H3/t18-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(C)=O)COCCCCCCCC

References

Other Databases

LIPIDAT ID
11665
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 409.68
Topological Polar Surface Area 94.12
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 4.21
Molar Refractivity 105.12

Reactions

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Reactions graph legend

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.