In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AA1 |
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Common Name | PC(O-14:0/18:2(9E,12E)) |
Systematic Name | 1-tetradecyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(O-32:2); PC(O-14:0/18:2) |
Exact Mass | |
Formula | C40H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | IWGRIIUADPXTSC-MOMOPGLHSA-N |
InChI | InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39 (38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h 14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/b16-14+,21-20+/t39-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COCCCCCCCCC CCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |