In-Silico Structure database (LMISSD)
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LM ID | LMGP01039AKC |
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Common Name | PC(P-18:1(11Z)/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-36:4); PC(P-18:1/18:3) |
Exact Mass | |
Formula | C44H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | RWVKPDIHPPTVRQ-ADEMHTGVSA-N |
InChI | InChI=1S/C44H80NO7P/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/h15-18,21,23,27,29,36,39,43H,6-14,19-20,22,24-26,28,30-35,37-38,40-42 H2,1-5H3/b17-15-,18-16-,23-21-,29-27-,39-36-/t43-/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 CCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |