In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AKB |
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Common Name | PC(P-18:1(11Z)/18:2(9Z,12Z)) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-36:3); PC(P-18:1/18:2) |
Exact Mass | |
Formula | C44H82NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | ABOXWZCNWOBUEO-DNRJJOHKSA-N |
InChI | InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43 (42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-1 3-11-9-7-2/h15-18,21,23,36,39,43H,6-14,19-20,22,24-35,37-38,40-42H2,1-5H3/b17-15 -,18-16-,23-21-,39-36-/t43-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCC CCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |