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

Feedback

N-acetylhistamine

	Properties	Image
MNX_ID	MNXM12367
reference	chebi:28483
formula	C₇H₁₁N₃O
global charge	0
mol weight	153.185
InChIKey	XJWPISBUKWZALE-UHFFFAOYSA-N
InChI	InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
SMILES	CC(=O)NCCC1=CNC=N1

MNX internals

InChI (mnx)	InChI=1/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
SMILES (mnx)	[CH3:1][C:6](=[N:9][CH2:3][CH2:2][C:7]1=[CH:4][N:8]=[CH:5][NH:10]1)[OH:11]

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:28483 chebi:28483 XJWPISBUKWZALE-UHFFFAOYSA-N	N-acetylhistamine 4-(2-acetamidoethyl)imidazole 4-(2-acetylaminoethyl)imidazole 4-(beta-Acetylaminoethyl)imidazole N-Acetylhistamine N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE N-[2-(1H-imidazol-4-yl)ethyl]acetamide Nalpha-acetylhistamine Nomega-acetylhistamine alpha-N-acetylhistamine omega-N-acetylhistamine
seed.compound:cpd03056 seedM:cpd03056 kegg.compound:C05135 keggC:C05135 XJWPISBUKWZALE-UHFFFAOYSA-N	4-(beta-Acetylaminoethyl)imidazole N-Acetylhistamine
hmdb:HMDB0013253 XJWPISBUKWZALE-UHFFFAOYSA-N	N-Acetylhistamine 4-(2-Acetamidoethyl)imidazole 4-(2-Acetylaminoethyl)imidazole 4-(b-Acetylaminoethyl)imidazole 4-(beta-Acetylaminoethyl)imidazole 4-(beta-acetylaminoethyl)imidazole AHN Acetamide, N-(2-(1H-imidazol-4-yl)ethyl)- (9ci) Acetamide, N-(2-imidazol-4-ylethyl)- (8ci) Acetamide, {n-[2-(1H-imidazol-4-yl)ethyl]-} Acetylhistamine Imidazole C-4(5) deriv. 1 N'-acetylhistamine N-(2-(1H-Imidazol-4-yl)ethyl)acetamide N-(2-(1H-Imidazol-4-yl)ethyl)acetamide (acd/name 4.0) N-(2-(Imidazol-4-yl)ethyl)acetamide N-(2-Imidazol-4-ylethyl)-acetamide N-.Omega.-acetylhistamine N-Omega-acetyl-histamine N-Omega-acetylhistamine N-[2-(1H-IMIDAZOL-4-yl)ethyl]acetamide N-[2-(1H-Imidazol-4-yl)ethyl]-acetamide N-[2-(1H-imidazol-5-yl)ethyl]acetamide N-[2-(3H-Imidazol-4-yl)ethyl]acetamide N-acetylhistamine Nalpha-acetylhistamine Nomega-acetylhistamine Omega-N-acetylhistamine a-N-Acetylhistamine alpha-N-Acetylhistamine alpha-N-acetylhistamine
hmdb:HMDB13253 chebi:1775 chebi:20295 chebi:40586 keggC:M_C05135 seedM:M_cpd03056	secondary/obsolete/fantasy identifier