Structure Database (LMSD)

Common Name
PS 15:0/18:1(9Z)-d7
Systematic Name
1-pentadecanoyl-2-(9Z-octadecenoyl-16,16,17,17,18,18,18-d7)-sn-glycero-3-phosphoserine
Synonyms
  • 1-pentadecanoyl-2-oleoyl(d7)-sn-glycero-3-phospho-L-serine
LM ID
LMGP03010986
Formula
C39H67D7NO10P
Exact Mass
Calculate m/z
754.548973
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum (Neg. Mode)

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

String Representations

InChiKey (Click to copy)
KVBAVKWITJZQEG-MGYVITQMSA-N
InChi (Click to copy)
InChI=1S/C39H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,35-36H,3-16,19-34,40H2,1-2H3,(H,43,44)(H,45,46)/b18-17-/t35-,36+/m1/s1/i1D3,3D2,5D2
SMILES (Click to copy)
[2H]C(C(CCCCC/C=C\CCCCCCCC(O[C@@](COC(=O)CCCCCCCCCCCCCC)([H])COP(OC[C@](C(O)=O)([H])N)(O)=O)=O)([2H])[2H])(C([2H])([2H])[2H])[2H]

Other Databases

PubChem CID
164318676
Avanti ID
791639-150-181-d7-ps

Calculated Physicochemical Properties

Heavy Atoms 51
Rings
Aromatic Rings
Rotatable Bonds 40
Van der Waals Molecular Volume 791.43
Topological Polar Surface Area 171.68
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 11
logP 11.71
Molar Refractivity 205.68

Admin

Created at
24th Mar 2025
Updated at
11th Nov 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.