In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AHL |
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Common Name | PC(O-16:1(11Z)/18:0) |
Systematic Name | 1-(11Z-hexadecenyl)-2-octadecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-34:1); PC(O-16:1/18:0) |
Exact Mass | |
Formula | C42H84NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | VPTJHNYYGXQRQD-XTSQRIEGSA-N |
InChI | InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41 (40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9 -7-2/h13,15,41H,6-12,14,16-40H2,1-5H3/b15-13-/t41-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\ CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |