In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(11Z)/22:1(13Z))
Systematic Name
1-(11Z-octadecenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029APL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
829.619672
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
NENXNFQJXLCUPE-SNHRKDAFSA-N
InChi (Click to copy)
InChI=1S/C46H88NO9P/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/h14,16-17,19,43-44H,3-13,15,18,20-42,47H2,1-2H3,(H,49,50)(H,51,52)/b16-14-,19-17-/t43-,44+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCC)(=O)O