RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0150157
RefMet name	Cadaverine
Systematic name	pentane-1,5-diamine
Synonyms	PubChem Synonyms
Exact mass	102.115698 (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	C5H14N2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38124 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKey	VHRGRCVQAFMJIZ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCN)CCN Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty amines
Sub Class	Monoalkylamines
Distribution of Cadaverine 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 Cadaverine
External Links
Pubchem CID	273
ChEBI ID	18127
KEGG ID	C01672
HMDB ID	HMDB0002322
Chemspider ID	13866593
MetaCyc ID	CADAVERINE
EPA CompTox	DTXCID9040479
PhytoHub DB	PHUB000774
Spectral data for Cadaverine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
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 Cadaverine

Rxn ID	KEGG Reaction	Enzyme
R06740	Cadaverine + H2O + Oxygen <=> 5-Aminopentanal + Ammonia + Hydrogen peroxide	primary-amine oxidase
R08359	S-Adenosylmethioninamine + Cadaverine <=> 5'-Methylthioadenosine + Aminopropylcadaverine	S-adenosylmethioninamine:cadaverine 3-aminopropyltransferase
R12214	Cadaverine + 2-Oxoglutarate <=> 5-Aminopentanal + L-Glutamate	cadaverine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing Cadaverine

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	2
hsa00480	Glutathione metabolism	1