In-Silico Structure Database (LMISSD)
Common Name
PC(10:0/20:2(5Z,13E)(9OH[S],11Ke,15OH[S]){8a,12b})
Systematic Name
1-decanoyl-2-PGD2-sn-glycero-3-phosphocholine
LM ID
LMGP20019AAW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
745.453002
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
LTEVYLIMPLRDBX-QBASFEIRSA-N
InChi (Click to copy)
InChI=1S/C38H68NO11P/c1-6-8-10-11-12-13-18-22-37(43)47-29-32(30-49-51(45,46)48-27-26-39(3,4)5)50-38(44)23-19-15-14-17-21-33-34(36(42)28-35(33)41)25-24-31(40)20-16-9-7-2/h14,17,24-25,31-35,40-41H,6-13,15-16,18-23,26-30H2,1-5H3/b17-14-,25-24+/t31-,32+,33+,34+,35-/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)CCCCC)=O)COC(CCCCCCCCC)=O