In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AHO |
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Common Name | PC(P-18:0/18:1(13Z)) |
Systematic Name | 1-(1Z-octadecenyl)-2-(13Z-octadecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(P-36:1); PC(P-18:0/18:1) |
Exact Mass | |
Formula | C44H86NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | GDFBHDWCXJIOCL-ZXGCFWCQSA-N |
InChI | InChI=1S/C44H86NO7P/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/h13,15,36,39,43H,6-12,14,16-35,37-38,40-42H2,1-5H3/b15-13-,39-36-/t43 -/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCC CCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |