In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01019EFM |
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Common Name | PC(25:0/25:0) |
Systematic Name | 1-2-di-pentacosanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(50:0); PC(25:0/25:0) |
Exact Mass | |
Formula | C58H116NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | Diacylglycerophosphocholines [GP0101] |
PubChem Compound ID (CID) | - |
InChIKey | UNILETGTPHNPDL-LXXIDKMWSA-N |
InChI | InChI=1S/C58H116NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-4 4-46-48-50-57(60)64-54-56(55-66-68(62,63)65-53-52-59(3,4)5)67-58(61)51-49-47-45- 43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h56H,6-55H2,1-5H3/t56-/ m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCC CCCCCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |