In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029ACA |
---|---|
Common Name | PC(O-14:0/29:0) |
Systematic Name | 1-tetradecyl-2-nonacosanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-43:0); PC(O-14:0/29:0) |
Exact Mass | |
Formula | C51H104NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | KIDVUKJCUTZGSN-VCZQVZGSSA-N |
InChI | InChI=1S/C51H104NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-3 2-33-34-36-38-40-42-44-51(53)59-50(49-58-60(54,55)57-47-45-52(3,4)5)48-56-46-43- 41-39-37-35-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCC CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |