In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:0/18:4(9E,11E,13E,15E))
Systematic Name
1-octadecyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029AMQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
769.525772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
HSHFVTZYYTXVHZ-IVOXALRBSA-N
InChi (Click to copy)
InChI=1S/C42H76NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-49-36-39(37-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,20,39-40H,3-5,7,9,11,13,15,17,19,21-38,43H2,1-2H3,(H,45,46)(H,47,48)/b8-6+,12-10+,16-14+,20-18+/t39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COCCCCCCCCCCCCCCCCCC)(=O)O