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

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pyridoxamine

	Properties	Image
MNX_ID	MNXM548
reference	chebi:57761
formula	C₈H₁₃N₂O₂
global charge	1
mol weight	169.204
InChIKey	NHZMQXZHNVQTQA-UHFFFAOYSA-O
InChI	InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3/p+1
SMILES	CC1=NC=C(CO)C(C[NH3+])=C1O

MNX internals

InChI (mnx)	InChI=1/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
SMILES (mnx)	[CH3:1][C:5]1=[N:10][CH:3]=[C:6]([CH2:4][OH:11])[C:7]([CH2:2][NH2:9])=[C:8]1[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	14

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57761 chebi:57761 NHZMQXZHNVQTQA-UHFFFAOYSA-O	pyridoxamine [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methanaminium pyridoxaminium cation pyridoxaminium(1+)
seed.compound:cpd00419 seedM:cpd00419 NHZMQXZHNVQTQA-UHFFFAOYSA-O	PM Pyridoxamine pydam pyridoxamine
bigg.metabolite:pydam biggM:pydam envipath:...c85331fbebe6 envipathM:...c85331fbebe6 sabiork.compound:2080 sabiorkM:2080 NHZMQXZHNVQTQA-UHFFFAOYSA-N NHZMQXZHNVQTQA-UHFFFAOYSA-O	Pyridoxamine
hmdb:HMDB0001431 NHZMQXZHNVQTQA-UHFFFAOYSA-N	Pyridoxamine 2-Methyl-4-aminomethyl-5-hydroxymethyl-3-pyridinol 4-(AMINOMETHYL)-5-(hydroxymethyl)-2-methylpyridin-3-ol 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol PM Pyridoxylamine pyridoxamine
vmhM:pydam vmhmetabolite:pydam NHZMQXZHNVQTQA-UHFFFAOYSA-O	Pyridoxamine 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
kegg.compound:C00534 keggC:C00534 NHZMQXZHNVQTQA-UHFFFAOYSA-N	Pyridoxamine PM
hmdb:HMDB0062696 NHZMQXZHNVQTQA-UHFFFAOYSA-O	Pyridoxaminium(1+) Pyridoxamine Pyridoxaminium cation [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methanaminium pyridoxaminium(1+)
CHEBI:131533 chebi:131533 NHZMQXZHNVQTQA-UHFFFAOYSA-P	pyridoxamine(2+) 4-(azaniumylmethyl)-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium pyridoxamine cation pyridoxamine dication
reactome:R-ALL-964945 reactomeM:R-ALL-964945 CHEBI:16410 chebi:16410 NHZMQXZHNVQTQA-UHFFFAOYSA-N	pyridoxamine 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol PM Pyridoxamine
metacyc.compound:PYRIDOXAMINE metacycM:PYRIDOXAMINE NHZMQXZHNVQTQA-UHFFFAOYSA-O	pyridoxamine PM
hmdb:HMDB01431 hmdb:HMDB62696 chebi:14978 chebi:26426 chebi:45228 chebi:8669 biggM:M_pydam keggC:M_C00534 seedM:M_cpd00419 vmhM:M_pydam	secondary/obsolete/fantasy identifier