In-Silico Structure Database (LMISSD)
Common Name
PC(10:0/20:4(7E,10E,13E,16E))
Systematic Name
1-decanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP01019ABN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
697.468257
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphocholines [GP01]
Diacylglycerophosphocholines [GP0101]
String Representations
InChiKey (Click to copy)
IOGBFWBBPOVXRD-BWAQPXBYSA-N
InChi (Click to copy)
InChI=1S/C38H68NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-13-11-9-7-2/h10,12,15-16,18-19,21-22,36H,6-9,11,13-14,17,20,23-35H2,1-5H3/b12-10+,16-15+,19-18+,22-21+/t36-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCCC)=O