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CHEBI:231032 - Brincidofovir
| Formula | C27H52N3O7P |
| Net Charge | 0 |
| Average Mass | 561.701 |
| Monoisotopic Mass | 561.35429 |
| SMILES | CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O |
| InChI | InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1 |
| InChIKey | WXJFKKQWPMNTIM-VWLOTQADSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Brincidofovir (CHEBI:231032) is a hydroxypyrimidine (CHEBI:38340) |
| IUPAC Name |
|---|
| [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid |