In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AGZ |
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Common Name | PC(O-16:0/32:0) |
Systematic Name | 1-hexadecyl-2-dotriacontanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-48:0); PC(O-16:0/32:0) |
Exact Mass | |
Formula | C56H114NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | PKNDDJHPPHNYKV-KZRJWCEASA-N |
InChI | InChI=1S/C56H114NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-3 3-34-35-36-37-39-41-43-45-47-49-56(58)64-55(54-63-65(59,60)62-52-50-57(3,4)5)53- 61-51-48-46-44-42-40-38-21-19-17-15-13-11-9-7-2/h55H,6-54H2,1-5H3/t55-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC CCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |