In-Silico Structure Database (LMISSD)
Common Name
PS(35:0/20:4(7E,10E,13E,16E))
Systematic Name
1-pentatriacontanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019FBH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1049.802387
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
UZKNPSQFMDADNS-DFGRJVLLSA-N
InChi (Click to copy)
InChI=1S/C61H112NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-59(63)69-54-57(55-70-73(67,68)71-56-58(62)61(65)66)72-60(64)53-51-49-47-45-43-41-39-36-20-18-16-14-12-10-8-6-4-2/h8,10,14,16,20,36,41,43,57-58H,3-7,9,11-13,15,17-19,21-35,37-40,42,44-56,62H2,1-2H3,(H,65,66)(H,67,68)/b10-8+,16-14+,36-20+,43-41+/t57-,58+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O