In-Silico Structure database (LMISSD)
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LM ID | LMGP01039DEX |
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Common Name | PC(P-14:0/22:4(7Z,10Z,13Z,16Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-36:4); PC(P-14:0/22:4) |
Exact Mass | |
Formula | C44H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | UCCCVYJZBKNMCM-MZXXEQQRSA-N |
InChI | InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37 -44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-19-17-15-1 3-11-9-7-2/h14,16,20-21,23-24,26-27,36,39,43H,6-13,15,17-19,22,25,28-35,37-38,40 -42H2,1-5H3/b16-14-,21-20-,24-23-,27-26-,39-36-/t43-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)C O/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |