In-Silico Structure Database (LMISSD)
Common Name
PS(O-20:0/29:0)
Systematic Name
1-eicosyl-2-nonacosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029AUQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
959.791822
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
ACOVLSBMLCZUDN-UVJRJONQSA-N
InChi (Click to copy)
InChI=1S/C55H110NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-54(57)65-52(50-63-66(60,61)64-51-53(56)55(58)59)49-62-48-46-44-42-40-38-36-34-32-22-20-18-16-14-12-10-8-6-4-2/h52-53H,3-51,56H2,1-2H3,(H,58,59)(H,60,61)/t52-,53+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCC)(=O)O