In-Silico Structure Database (LMISSD)
Common Name
PS(P-16:0/18:1(13Z))
Systematic Name
1-(1Z-hexadecenyl)-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AAR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
745.525772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
QYBUEEDFGOUWAK-LAOQIFNJSA-N
InChi (Click to copy)
InChI=1S/C40H76NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(42)50-37(35-48-51(45,46)49-36-38(41)40(43)44)34-47-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h9,11,31,33,37-38H,3-8,10,12-30,32,34-36,41H2,1-2H3,(H,43,44)(H,45,46)/b11-9-,33-31-/t37-,38+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCCCC)(=O)O