MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate

	Properties	Image
MNX_ID	MNXM35254
reference	chebi:140633
formula	C₈H₆NO₄
global charge	-1
mol weight	180.139
InChIKey	JTWNWNJMNSJYDL-UHFFFAOYSA-M
InChI	InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)/p-1
SMILES	CC1=NC=C(C=O)C(C(=O)[O-])=C1O

MNX internals

InChI (mnx)	InChI=1/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)
SMILES (mnx)	[CH3:1][C:4]1=[N:9][CH:2]=[C:5]([CH:3]=[O:10])[C:6]([C:8]([OH:12])=[O:13])=[C:7]1[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:140633 chebi:140633 JTWNWNJMNSJYDL-UHFFFAOYSA-M	5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate
envipath:...9981386da755 envipathM:...9981386da755 JTWNWNJMNSJYDL-UHFFFAOYSA-M	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate
hmdb:HMDB0006954 JTWNWNJMNSJYDL-UHFFFAOYSA-N	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylic acid 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylate 5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid 5-Formyl-3-hydroxy-2-methylisonicotinate 5-Formyl-3-hydroxy-2-methylisonicotinic acid 5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate 5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
sabiork.compound:8352 sabiorkM:8352 kegg.compound:C06050 keggC:C06050 JTWNWNJMNSJYDL-UHFFFAOYSA-N	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate
seed.compound:cpd03603 seedM:cpd03603 JTWNWNJMNSJYDL-UHFFFAOYSA-M	5-Formyl-3-hydroxy-2-methylpyridine-4-carboxylate 2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate
seed.compound:cpd25536 seedM:cpd25536 JTWNWNJMNSJYDL-UHFFFAOYSA-M	5-formyl-3-hydroxy-2-methylpyidine-4-carboxylate 5-formyl-3-hydroxy-2-methylpyidine-4-carboxylic acid 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid FHMPC
metacyc.compound:CPD-9026 metacycM:CPD-9026 JTWNWNJMNSJYDL-UHFFFAOYSA-M	5-formyl-3-hydroxy-2-methylpyridine-4-carboxylate 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid FHMPC
CHEBI:28038 chebi:28038 JTWNWNJMNSJYDL-UHFFFAOYSA-N	5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid 2-methyl-3-hydroxy-5-formylpyridine-4-carboxylic acid 5-formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid 5-formyl-3-hydroxy-2-methylisonicotinic acid
envipath:...2f4c458f57cb envipathM:...2f4c458f57cb JTWNWNJMNSJYDL-UHFFFAOYSA-M	compound 0286422
hmdb:HMDB06954 chebi:1192 chebi:19679 keggC:M_C06050 seedM:M_cpd03603 seedM:M_cpd25536	secondary/obsolete/fantasy identifier