In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(11Z)/35:0)
Systematic Name
1-(11Z-octadecenyl)-2-pentatriacontanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029AQA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1013.838772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
BQPGPHIJMPIRLB-IZZFHESGSA-N
InChi (Click to copy)
InChI=1S/C59H116NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-58(61)69-56(54-67-70(64,65)68-55-57(60)59(62)63)53-66-52-50-48-46-44-42-40-38-20-18-16-14-12-10-8-6-4-2/h14,16,56-57H,3-13,15,17-55,60H2,1-2H3,(H,62,63)(H,64,65)/b16-14-/t56-,57+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCC)(=O)O