In-Silico Structure Database (LMISSD)
Common Name
PS(P-22:0/29:0)
Systematic Name
1-(1Z-docosenyl)-2-nonacosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03039AW1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
985.807472
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
DPQWCMDQNJODHA-XVGLAOKZSA-N
InChi (Click to copy)
InChI=1S/C57H112NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-56(59)67-54(52-65-68(62,63)66-53-55(58)57(60)61)51-64-50-48-46-44-42-40-38-36-34-32-24-22-20-18-16-14-12-10-8-6-4-2/h48,50,54-55H,3-47,49,51-53,58H2,1-2H3,(H,60,61)(H,62,63)/b50-48-/t54-,55+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCCCC)(=O)O