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

Feedback

pyridoxal

	Properties	Image
MNX_ID	MNXM311
reference	chebi:17310
formula	C₈H₉NO₃
global charge	0
mol weight	167.164
InChIKey	RADKZDMFGJYCBB-UHFFFAOYSA-N
InChI	InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
SMILES	CC1=C(O)C(C=O)=C(CO)C=N1

MNX internals

InChI (mnx)	InChI=1/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
SMILES (mnx)	[CH3:1][C:5]1=[N:9][CH:2]=[C:6]([CH2:3][OH:10])[C:7]([CH:4]=[O:11])=[C:8]1[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	19

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-965131 reactomeM:R-ALL-965131 CHEBI:17310 chebi:17310 RADKZDMFGJYCBB-UHFFFAOYSA-N	pyridoxal 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Pyridoxal pyridoxaldehyde
bigg.metabolite:pydx biggM:pydx envipath:...40e990942002 envipathM:...40e990942002 sabiork.compound:1991 sabiorkM:1991 kegg.compound:C00250 keggC:C00250 RADKZDMFGJYCBB-UHFFFAOYSA-N	Pyridoxal
hmdb:HMDB0001545 RADKZDMFGJYCBB-UHFFFAOYSA-N	Pyridoxal 3-HYDROXY-5-(hydroxymethyl)-2-methylisonicotinaldehyde 3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Pyridoxaldehyde pyridoxal
vmhM:pydx vmhmetabolite:pydx RADKZDMFGJYCBB-UHFFFAOYSA-N	Pyridoxal 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
seed.compound:cpd00215 seedM:cpd00215 RADKZDMFGJYCBB-UHFFFAOYSA-N	Pyridoxal pydx pyridoxal
envipath:...0d73203cc02c envipathM:...0d73203cc02c RADKZDMFGJYCBB-UHFFFAOYSA-N	compound 0286390
CHEBI:131530 chebi:131530 RADKZDMFGJYCBB-UHFFFAOYSA-O	pyridoxal(1+) 4-formyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium pyridoxal cation
metacyc.compound:PYRIDOXAL metacycM:PYRIDOXAL RADKZDMFGJYCBB-UHFFFAOYSA-N	pyridoxal PL
hmdb:HMDB01545 chebi:14976 chebi:26423 chebi:45112 chebi:8667 biggM:M_pydx keggC:M_C00250 seedM:M_cpd00215 vmhM:M_pydx	secondary/obsolete/fantasy identifier