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

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isopyridoxal

	Properties	Image
MNX_ID	MNXM3037
reference	chebi:17889
formula	C₈H₉NO₃
global charge	0
mol weight	167.164
InChIKey	GNKXHPULSPWUAK-UHFFFAOYSA-N
InChI	InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3
SMILES	CC1=C(O)C(CO)=C(C=O)C=N1

MNX internals

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

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:17889 chebi:17889 GNKXHPULSPWUAK-UHFFFAOYSA-N	isopyridoxal 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde Isopyridoxal
envipath:...64990f08446b envipathM:...64990f08446b sabiork.compound:8353 sabiorkM:8353 kegg.compound:C06051 keggC:C06051 GNKXHPULSPWUAK-UHFFFAOYSA-N	Isopyridoxal
hmdb:HMDB0004290 GNKXHPULSPWUAK-UHFFFAOYSA-N	Isopyridoxal 5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxaldehyde 5-Hydroxy-4-(hydroxymethyl)-6-methyl-nicotinaldehyde 5-Hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde isopyridoxal
seed.compound:cpd03604 seedM:cpd03604 GNKXHPULSPWUAK-UHFFFAOYSA-N	Isopyridoxal isopyridoxal
envipath:...541cdcb364cc envipathM:...541cdcb364cc GNKXHPULSPWUAK-UHFFFAOYSA-N	compound 0286389
metacyc.compound:CPD-383 metacycM:CPD-383 GNKXHPULSPWUAK-UHFFFAOYSA-N	isopyridoxal 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde
hmdb:HMDB04290 chebi:14477 chebi:24919 chebi:6050 keggC:M_C06051 seedM:M_cpd03604	secondary/obsolete/fantasy identifier