In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(11Z)/38:0)
Systematic Name
1-(11Z-octadecenyl)-2-octatriacontanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029AQD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1055.885722
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
DBYLMGMCGFCGIP-UVRMQINZSA-N
InChi (Click to copy)
InChI=1S/C62H122NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-61(64)72-59(57-70-73(67,68)71-58-60(63)62(65)66)56-69-55-53-51-49-47-45-43-41-20-18-16-14-12-10-8-6-4-2/h14,16,59-60H,3-13,15,17-58,63H2,1-2H3,(H,65,66)(H,67,68)/b16-14-/t59-,60+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCC)(=O)O