RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136421 | |
|---|---|---|
| RefMet name | Penciclovir | |
| Systematic name | 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-3H-purin-6-one | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 253.117489 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C10H15N5O3 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 42688 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) | |
| InChIKey | JNTOCHDNEULJHD-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C(Cn1cnc2c1nc(N)[nH]c2=O)C(CO)CO
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Nucleic acids | |
| Main Class | Purines | |
| Sub Class | Other purines | |
| Distribution of Penciclovir in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Penciclovir | |
| External Links | ||
| Pubchem CID | 135398748 | |
| ChEBI ID | 7956 | |
| KEGG ID | C07417 | |
| HMDB ID | HMDB0014444 | |
| Chemspider ID | 4563 | |
| EPA CompTox | DTXCID7026491 | |
| Spectral data for Penciclovir standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
