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

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pyridoxine hydrochloride

	Properties	Image
MNX_ID	MNXM160688
reference	chebi:30961
formula	C₈H₁₂ClNO₃
global charge	0
mol weight	205.641
InChIKey	ZUFQODAHGAHPFQ-UHFFFAOYSA-N
InChI	InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
SMILES	CC1=NC=C(CO)C(CO)=C1O.Cl

MNX internals

InChI (mnx)	InChI=1/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
SMILES (mnx)	[CH3:1][C:5]1=[N:9][CH:2]=[C:6]([CH2:3][OH:10])[C:7]([CH2:4][OH:11])=[C:8]1[OH:12].[ClH:13]

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:30961 chebi:30961 ZUFQODAHGAHPFQ-UHFFFAOYSA-N	pyridoxine hydrochloride 2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride 3-hydroxy-4,5-dimethylol-alpha-picoline hydrochloride 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride pyridoxol hydrochloride vitamin B6 hydrochloride
kegg.drug:D02179 keggD:D02179 ZUFQODAHGAHPFQ-UHFFFAOYSA-N	Pyridoxine hydrochloride (JP18/USP) Hexa-betalin (TN)
seed.compound:cpd30645 seedM:cpd30645 ZUFQODAHGAHPFQ-UHFFFAOYSA-N	Pyridoxine-HCl
metacyc.compound:CPD185E-7 metacycM:CPD185E-7 ZUFQODAHGAHPFQ-UHFFFAOYSA-N	pyridoxine HCl 2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine hydrochloride 3-hydroxy-4,5-dimethylol--picoline hydrochloride 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride pyridoxol hydrochloride vitamin B6 hydrochloride
keggD:M_D02179 seedM:M_cpd30645	secondary/obsolete/fantasy identifier