In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AI7 |
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Common Name | PC(14:0/4:0) |
Systematic Name | 1-tetradecanoyl-2-butyryl-sn-glycero-3-phosphocholine |
Synonyms | PC(18:0); PC(14:0/4:0) |
Exact Mass | |
Formula | C26H52NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | HXPUBZKKRPIFHQ-XMMPIXPASA-N |
InChI | InChI=1S/C26H52NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-19-25(28)32-22-24(35-26(29) 18-7-2)23-34-36(30,31)33-21-20-27(3,4)5/h24H,6-23H2,1-5H3/t24-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC)=O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |