In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(9Z)/34:0)
Systematic Name
1-(9Z-octadecenyl)-2-tetratriacontanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029ASK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
999.823122
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
IRXNGFHUPCFHPG-ZQGMQTHDSA-N
InChi (Click to copy)
InChI=1S/C58H114NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-57(60)68-55(53-66-69(63,64)67-54-56(59)58(61)62)52-65-51-49-47-45-43-41-39-37-20-18-16-14-12-10-8-6-4-2/h18,20,55-56H,3-17,19,21-54,59H2,1-2H3,(H,61,62)(H,63,64)/b20-18-/t55-,56+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC)(=O)O