In-Silico Structure Database (LMISSD)
Common Name
PS(P-18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AIT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
819.541422
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
KWNPREADVPJGGU-SBFLJECZSA-N
InChi (Click to copy)
InChI=1S/C46H78NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(48)56-43(41-54-57(51,52)55-42-44(47)46(49)50)40-53-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,19,21-23,26,28,32,34,37,39,43-44H,3-4,6,8-10,12,14-18,20,24-25,27,29-31,33,35-36,38,40-42,47H2,1-2H3,(H,49,50)(H,51,52)/b7-5-,13-11-,21-19+,23-22-,28-26-,34-32-,39-37-/t43-,44+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCCCCCC)(=O)O