In-Silico Structure Database (LMISSD)
Common Name
PS(10:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b})
Systematic Name
1-decanoyl-2-PGE2-sn-glycero-3-phosphoserine
LM ID
LMGP20049AAV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
747.395882
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
AQROMSRSEMNIMR-XWVFSNIRSA-N
InChi (Click to copy)
InChI=1S/C36H62NO13P/c1-3-5-7-8-9-10-15-19-34(41)47-24-28(25-48-51(45,46)49-26-31(37)36(43)44)50-35(42)20-16-12-11-14-18-29-30(33(40)23-32(29)39)22-21-27(38)17-13-6-4-2/h11,14,21-22,27-31,33,38,40H,3-10,12-13,15-20,23-26,37H2,1-2H3,(H,43,44)(H,45,46)/b14-11-,22-21+/t27-,28+,29+,30+,31-,33+/m0/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O