RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136382
RefMet name	Aminopropylcadaverine
Systematic name	(5-aminopentyl)(3-aminopropyl)amine
Synonyms	PubChem Synonyms
Exact mass	159.173548 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C8H21N3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	41900 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2
InChIKey	QZBYOYPROVGOGE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCN)CCNCCCN Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic nitrogen compounds
Main Class	Amines
Sub Class	Amines
Distribution of Aminopropylcadaverine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Aminopropylcadaverine
External Links
Pubchem CID	65523
ChEBI ID	64860
KEGG ID	C16565
HMDB ID	HMDB0012189
Chemspider ID	58969
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Aminopropylcadaverine

Rxn ID	KEGG Reaction	Enzyme
R08359	S-Adenosylmethioninamine + Cadaverine <=> 5'-Methylthioadenosine + Aminopropylcadaverine	S-adenosylmethioninamine:cadaverine 3-aminopropyltransferase

Table of KEGG human pathways containing Aminopropylcadaverine

Pathway ID	Human Pathway	# of reactions
hsa00480	Glutathione metabolism	1