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

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5-pyridoxolactone

	Properties	Image
MNX_ID	MNXM6939
reference	chebi:2124
formula	C₈H₇NO₃
global charge	0
mol weight	165.148
InChIKey	PPAXBSPBIWBREI-UHFFFAOYSA-N
InChI	InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3
SMILES	CC1=C(O)C2=C(C=N1)C(=O)OC2

MNX internals

InChI (mnx)	InChI=1/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3
SMILES (mnx)	[CH3:1][C:4]1=[N:9][CH:2]=[C:5]2[C:6](=[C:7]1[OH:10])[CH2:3][O:12][C:8]2=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2124 chebi:2124 PPAXBSPBIWBREI-UHFFFAOYSA-N	5-pyridoxolactone 5-Pyridoxolactone 5-pyridoxic acid lactone 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one
envipath:...b8afca1a1be7 envipathM:...b8afca1a1be7 sabiork.compound:8354 sabiorkM:8354 kegg.compound:C06052 keggC:C06052 PPAXBSPBIWBREI-UHFFFAOYSA-N	5-Pyridoxolactone
hmdb:HMDB0004291 PPAXBSPBIWBREI-UHFFFAOYSA-N	5-Pyridoxolactone 3-Carboxy-4-(hydroxymethyl)-5-hydroxy-6-methylpyridine lactone 5-Pyridoxate lactone 5-Pyridoxic acid g-lactone 5-Pyridoxic acid lactone 5-pyridoxolactone 7-hydroxy-6-methyl-1H,3H-furo[3,4-c]pyridin-3-one Pyracin-5 Pyridoxic acid gamma-lactone a-Pyracin alpha-Pyracin
seed.compound:cpd03605 seedM:cpd03605 PPAXBSPBIWBREI-UHFFFAOYSA-N	5-Pyridoxolactone 5-pyridoxic acid lactone 5-pyridoxolactone
metacyc.compound:CPD-9028 metacycM:CPD-9028 PPAXBSPBIWBREI-UHFFFAOYSA-N	5-pyridoxolactone 5-pyridoxic acid lactone 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one
hmdb:HMDB04291 keggC:M_C06052 seedM:M_cpd03605	secondary/obsolete/fantasy identifier