In-Silico Structure Database (LMISSD)
Common Name
PS(O-14:0/20:4(7E,10E,13E,16E))
Systematic Name
1-tetradecyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029ABN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
741.494472
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
ABEYXEVLSRAQLK-JWZVUKMTSA-N
InChi (Click to copy)
InChI=1S/C40H72NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-39(42)50-37(35-48-51(45,46)49-36-38(41)40(43)44)34-47-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h7,9,13,15,18-19,21-22,37-38H,3-6,8,10-12,14,16-17,20,23-36,41H2,1-2H3,(H,43,44)(H,45,46)/b9-7+,15-13+,19-18+,22-21+/t37-,38+/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)COCCCCCCCCCCCCCC)(=O)O