 |
| Ligand Name: Pyridoxal |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1413 |
PubChem:
1050
|
Synonym(s):
- pyridoxaldehyde
- 66-72-8
- 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde
- 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
- 4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
- einecs 200-630-8
- unii-3thm379k8a
- nsc 19613
- brn 0383768
- chebi:17310
- oprea1_534980
- 3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd
- 3thm379k8a
- ncgc00142580-03
- 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde
- 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde
- 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde
- dsstox_cid_26020
- dsstox_rid_81294
- dsstox_gsid_46020
- 4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl- (9ci)
- cas-66-72-8
- nsc19613
- pyridocalx
- piridoxal
- nchembio.93-comp2
- 4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride
- bmse000110
- schembl29906
- 5-21-13-00044 (beilstein handbook reference)
- mls003876810
- chembl102970
- dtxsid4046020
- ex-a576
- aids006783
- zinc120249
- aids-006783
- albb-021353
- tox21_111561
- anw-64418
- bbl004877
- bdbm50366979
- mfcd00464806
- sbb005829
- stl137770
- akos000634540
- tox21_111561_1
- db00147
- gs-3388
- mcule-3872885941
- ncgc00142580-01
- ncgc00142580-04
- ncgc00142580-05
- smr002533344
- st059599
- h2892
- x5958
- c00250
- 29793-ep2277861a1
- 29793-ep2284157a1
- 29793-ep2286795a1
- 29793-ep2292617a1
- 29793-ep2298753a1
- 29793-ep2298755a1
- 29793-ep2302132a1
- 29793-ep2311842a2
- 29793-ep2371813a1
- 066p728
- 2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine
- q3065731
- 849adf16-456d-4bab-a7ea-93a4c9d428af
- 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde #
show 71 synonym(s)
|
| DrugBank: DB00147 |
ChEMBL: CHEMBL102970 |
| Canonical SMILES: Cc1ncc(CO)c(C=O)c1O |
| Standard InChI: InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 |
| Molecular Formula: C8H9NO3 |
Mol. Weight: 167.05824 |
logP: 0.40042 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 2 | TPSA: 70.42 |