In-Silico Structure database (LMISSD)
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LM ID | LMGP01039AH4 |
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Common Name | PC(P-18:0/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(1Z-octadecenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-36:4); PC(P-18:0/18:4) |
Exact Mass | |
Formula | C44H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | HVQTYTKJUUJASS-JGEXNFTLSA-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/h9,11,13,15,17,19,21,23,36,39,43H,6-8,10,12,14,16,18,20,22,24-35,37-3 8,40-42H2,1-5H3/b11-9+,15-13+,19-17+,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=C/C=C/CC)=O)CO/C=C\C CCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |