In-Silico Structure Database (LMISSD)

Common Name
PS(P-14:0/14:1(9Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039DDK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
661.431872
Formula
C34H64NO9P
Predict MS/MS spectrum (Neg. Mode)
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]

String Representations

InChiKey (Click to copy)
SFCJYLKTAAPVJH-QECMOPTESA-N
InChi (Click to copy)
InChI=1S/C34H64NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-28-31(29-42-45(39,40)43-30-32(35)34(37)38)44-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,25,27,31-32H,3-9,11,13-24,26,28-30,35H2,1-2H3,(H,37,38)(H,39,40)/b12-10-,27-25-/t31-,32+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCC)(=O)O

References

Other Databases