In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019FIO |
---|---|
Common Name | PC(P-16:0/4:1(3E)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-3E-butenoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-20:1); PC(P-16:0/4:1) |
Exact Mass | |
Formula | C28H54NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | ASHAZWZOBZFJKY-MKRJFYFOSA-N |
InChI | InChI=1S/C28H54NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33-25-27(36-28( 30)21-7-2)26-35-37(31,32)34-24-22-29(3,4)5/h7,20,23,27H,2,6,8-19,21-22,24-26H2,1 ,3-5H3/b23-20-/t27-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC=C)=O)CO/C=C\CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |