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5-(3-carboxy-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylate
MNXM2948 is deprecated and here replaced by MNXM733575
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM733575 |
 |
| reference | chebi:57859 |
| formula | C10H5NO7 |
| global charge | -2 |
| mol weight | 251.15 |
| InChIKey | ATWKTZAAIUROID-UHFFFAOYSA-L |
| InChI | InChI=1S/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)/p-2 |
| SMILES | O=C([O-])C(=O)C=CC1=C(O)C=C(C(=O)[O-])N=C1O |
MNX internals
| InChI (mnx) | InChI=1/C10H7NO7/c12-6(10(17)18)2-1-4-7(13)3-5(9(15)16)11-8(4)14/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)/b2-1? |
 |
| SMILES (mnx) | [CH:1](=[CH:2][C:6]([C:10]([OH:17])=[O:18])=[O:12])[C:4]1=[C:7]([OH:13])[CH:3]=[C:5]([C:9](=[O:15])[OH:16])[N:11]=[C:8]1[OH:14] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
CHEBI:57859 chebi:57859 ATWKTZAAIUROID-UHFFFAOYSA-L
| 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylate 5-(3-carboxylato-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylate
|
CHEBI:2012 chebi:2012 ATWKTZAAIUROID-UHFFFAOYSA-N
| 5-(3'-carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinic acid 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
|
CHEBI:16685 chebi:16685 ATWKTZAAIUROID-UHFFFAOYSA-N
| 5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylic acid 5-(3-Carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylate 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylic acid
|
chebi:12088 chebi:2016 chebi:20524
| secondary/obsolete/fantasy identifier
|