RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0118068 | |
|---|---|---|
| RefMet name | Vitamin C | |
| Systematic name | L-ascorbic acid | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 176.032090 (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 | C6H8O6 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 42577 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 | |
| InChIKey | CIWBSHSKHKDKBQ-JLAZNSOCSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Lactones | |
| Sub Class | Gamma butyrolactones | |
| Distribution of Vitamin C 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 Vitamin C | |
| External Links | ||
| Pubchem CID | 54670067 | |
| ChEBI ID | 29073 | |
| KEGG ID | C00072 | |
| HMDB ID | HMDB0000044 | |
| Chemspider ID | 10189562 | |
| MetaCyc ID | ASCORBATE | |
| EPA CompTox | DTXCID0028084 | |
| Spectral data for Vitamin C standards | ||
| BMRB ID(NMR) | View NMR spectra | |
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
