In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019BJ6 |
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Common Name | PC(18:2(2E,4E)/2:0) |
Systematic Name | 1-(2E,4E-octadecadienoyl)-2-acetyl-sn-glycero-3-phosphocholine |
Synonyms | PC(20:2); PC(18:2/2:0) |
Exact Mass | |
Formula | C28H52NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | BZQLBQBMSNKGAC-IVYHATLSSA-N |
InChI | InChI=1S/C28H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)34-24-2 7(37-26(2)30)25-36-38(32,33)35-23-22-29(3,4)5/h18-21,27H,6-17,22-25H2,1-5H3/b19- 18+,21-20+/t27-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(C)=O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |