In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019DNQ |
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Common Name | PC(25:0/2:0) |
Systematic Name | 1-pentacosanoyl-2-acetyl-sn-glycero-3-phosphocholine |
Synonyms | PC(27:0); PC(25:0/2:0) |
Exact Mass | |
Formula | C35H70NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | GPIWPRGZJUJOEK-UUWRZZSWSA-N |
InChI | InChI=1S/C35H70NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-2 6-27-28-35(38)41-31-34(44-33(2)37)32-43-45(39,40)42-30-29-36(3,4)5/h34H,6-32H2,1 -5H3/t34-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(C)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |