In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AFQ |
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Common Name | PC(P-16:1(9Z)/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-34:4); PC(P-16:1/18:3) |
Exact Mass | |
Formula | C42H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | FKJXNKJGABZWJF-ODGYHEEFSA-N |
InChI | InChI=1S/C42H76NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41 (40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9 -7-2/h14,16-17,19-20,22,25,27,34,37,41H,6-13,15,18,21,23-24,26,28-33,35-36,38-40 H2,1-5H3/b16-14-,19-17-,22-20-,27-25-,37-34-/t41-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\C CCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |