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

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histamine

	Properties	Image
MNX_ID	MNXM635
reference	chebi:58432
formula	C₅H₁₀N₃
global charge	1
mol weight	112.156
InChIKey	NTYJJOPFIAHURM-UHFFFAOYSA-O
InChI	InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1
SMILES	[NH3+]CCC1=CNC=N1

MNX internals

InChI (mnx)	InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
SMILES (mnx)	[CH2:1]([CH2:2][NH2:6])[C:5]1=[CH:3][N:7]=[CH:4][NH:8]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	27
in models (compartimentalized)	23

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-175992 reactomeM:R-ALL-175992 reactome:R-ALL-390899 reactomeM:R-ALL-390899 reactome:R-ALL-444149 reactomeM:R-ALL-444149 CHEBI:58432 chebi:58432 NTYJJOPFIAHURM-UHFFFAOYSA-O	histamine 2-(1H-imidazol-4-yl)ethanaminium histaminium histaminium cation
kegg.drug:D08040 keggD:D08040 NTYJJOPFIAHURM-UHFFFAOYSA-N	Histamine (DCF) Histaminum (TN)
bigg.metabolite:hista biggM:hista NTYJJOPFIAHURM-UHFFFAOYSA-O	Histamine extracellular
hmdb:HMDB0000870 NTYJJOPFIAHURM-UHFFFAOYSA-N	Histamine 1H-Imidazole-4-ethanamine 2-(1H-Imidazol-4-yl)ethanamine 2-(1H-Imidazol-4-yl)ethylamine 2-(1H-Imidazol-5-yl)ethanamine 2-(1H-Imidazol-5-yl)ethylamine 2-(1H-imidazol-4-yl)ethan-1-amine 2-(3H-Imidazol-4-yl)ethylamine 2-(4-Imidazolyl)ethanamine 2-(4-Imidazolyl)ethylamine 2-Imidazol-4-yl-ethylamine 2-Imidazol-4-ylethylamine 4-(2-Aminoethyl)-1H-imidazole 4-(2-Aminoethyl)imidazole 4-Imidazoleethylamine 5-Imidazoleethylamine Eramin Ergamine Ergotidine HSM Imidazole-4-ethylamine b-Imidazolyl-4-ethylamine beta-Aminoethylglyoxaline beta-Aminoethylimidazole beta-Aminothethylglyoxaline beta-Imidazolyl-4-ethylamine beta-imidazolyl-4-ethylamine histamine
sabiork.compound:5065 sabiorkM:5065 kegg.compound:C00388 keggC:C00388 NTYJJOPFIAHURM-UHFFFAOYSA-N	Histamine 1H-Imidazole-4-ethanamine 2-(4-Imidazolyl)ethylamine
seed.compound:cpd00312 seedM:cpd00312 NTYJJOPFIAHURM-UHFFFAOYSA-O	Histamine 1H-Imidazole-4-ethanamine 2-(4-Imidazolyl)ethylamine hista histamine peremin
vmhM:hista vmhmetabolite:hista NTYJJOPFIAHURM-UHFFFAOYSA-O	Histamine 2-(1H-imidazol-4-yl)ethan-1-amine
CHEBI:18295 chebi:18295 NTYJJOPFIAHURM-UHFFFAOYSA-N	histamine 1H-Imidazole-4-ethanamine 2-(1H-imidazol-4-yl)ethanamine 2-(4-Imidazolyl)ethylamine HISTAMINE Histamine
metacyc.compound:HISTAMINE metacycM:HISTAMINE NTYJJOPFIAHURM-UHFFFAOYSA-O	histamine 1H-Imidazole-4-ethanamine peremin
hmdb:HMDB0060263 hmdb:HMDB00870 hmdb:HMDB60263 chebi:14401 chebi:24596 chebi:43187 chebi:817 biggM:M_hista keggC:M_C00388 keggD:M_D08040 seedM:M_cpd00312 vmhM:M_hista	secondary/obsolete/fantasy identifier