In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(9Z)/33:0)
Systematic Name
1-(9Z-octadecenyl)-2-tritriacontanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029ASJ
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-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
HHFBRYRVIGNOFY-BANXUQOOSA-N
InChi (Click to copy)
InChI=1S/C57H112NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-56(59)67-54(52-65-68(62,63)66-53-55(58)57(60)61)51-64-50-48-46-44-42-40-38-36-20-18-16-14-12-10-8-6-4-2/h18,20,54-55H,3-17,19,21-53,58H2,1-2H3,(H,60,61)(H,62,63)/b20-18-/t54-,55+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC)(=O)O