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

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N-acetylputrescine

	Properties	Image
MNX_ID	MNXM1153
reference	chebi:58263
formula	C₆H₁₅N₂O
global charge	1
mol weight	131.199
InChIKey	KLZGKIDSEJWEDW-UHFFFAOYSA-O
InChI	InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)/p+1
SMILES	CC(=O)NCCCC[NH3+]

MNX internals

InChI (mnx)	InChI=1/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
SMILES (mnx)	[CH3:1][C:6](=[N:8][CH2:5][CH2:3][CH2:2][CH2:4][NH2:7])[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58263 chebi:58263 KLZGKIDSEJWEDW-UHFFFAOYSA-O	N-acetylputrescine 4-acetamidobutan-1-aminium N-acetylputrescinium N-acetylputrescinium cation N-acetylputrescinium(1+)
bigg.metabolite:aprut biggM:aprut KLZGKIDSEJWEDW-UHFFFAOYSA-O	N Acetylputrescine
kegg.compound:C02714 keggC:C02714 KLZGKIDSEJWEDW-UHFFFAOYSA-N	N-Acetylputrescine
hmdb:HMDB0002064 KLZGKIDSEJWEDW-UHFFFAOYSA-N	N-Acetylputrescine Acetylputrescine Monoacetylputrescine N-(4-Aminobutyl)acetamide N-(4-aminobutyl)acetamide N-Acetylputrescine monohydrochloride acetylputrescine
seed.compound:cpd01758 seedM:cpd01758 KLZGKIDSEJWEDW-UHFFFAOYSA-O	N-Acetylputrescine N-acetylputrescine aprut monoacetylputrescine
CHEBI:17768 chebi:17768 KLZGKIDSEJWEDW-UHFFFAOYSA-N	N-acetylputrescine N-(4-aminobutyl)acetamide N-Acetylputrescine
metacyc.compound:CPD-569 metacycM:CPD-569 KLZGKIDSEJWEDW-UHFFFAOYSA-O	N-acetylputrescine monoacetylputrescine
vmhM:aprut vmhmetabolite:aprut KLZGKIDSEJWEDW-UHFFFAOYSA-O	N-acetylputrescinium N-(4-aminobutyl)acetamide
hmdb:HMDB0060268 hmdb:HMDB02064 hmdb:HMDB60268 chebi:12473 chebi:21629 chebi:7222 biggM:M_aprut keggC:M_C02714 seedM:M_cpd01758 vmhM:M_aprut	secondary/obsolete/fantasy identifier