BMMCBZ1Sk013
From Metabolomics.JP
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ1S 0-1 substitution (53 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 65-85-0 |
| KEGG | C00180 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ1Sk013.mol |
| Benzoate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Benzoic acid |
| Common Name |
|
| Symbol | |
| Formula | C7H6O2 |
| Exact Mass | 122.0367 |
| Average Mass | 122.1213 |
| SMILES | OC(=O)c(c1)cccc1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
- 2- (Benzoylamino) acetic acid ⇔ this
- [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] 2,3-dihydroxybenzoic acid ⇔ this
- Phosphono benzoic acid ⇔ this
- 2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid ⇔ this
- this ⇔ Benzoyl-CoA
- this ⇔ Salicylic acid
- this ⇔ 4-Hydroxybenzoic acid
- Benzaldehyde ⇔ this
