RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0139715
RefMet name	Putrescine
Systematic name	butane-1,4-diamine
Synonyms	PubChem Synonyms
Exact mass	88.100048 (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	C4H12N2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37784 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKey	KIDHWZJUCRJVML-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCN)CN 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 Putrescine 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 Putrescine
External Links
Pubchem CID	1045
ChEBI ID	17148
KEGG ID	C00134
HMDB ID	HMDB0001414
Chemspider ID	13837702
MetaCyc ID	PUTRESCINE
EPA CompTox	DTXCID2021107
PhytoHub DB	PHUB000781
Spectral data for Putrescine 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 Putrescine

Rxn ID	KEGG Reaction	Enzyme
R00670	L-Ornithine <=> Putrescine + CO2	L-ornithine carboxy-lyase (putrescine-forming)
R01151	Putrescine + Oxygen + H2O <=> 4-Aminobutyraldehyde + Ammonia + Hydrogen peroxide	Putrescine:oxygen oxidoreductase (deaminating)
R01154	Acetyl-CoA + Putrescine <=> CoA + N-Acetylputrescine	acetyl-CoA:putrescine N-acetyltransferase
R01155	Putrescine + 2-Oxoglutarate <=> 4-Aminobutyraldehyde + L-Glutamate	putrescine:2-oxoglutarate aminotransferase
R01156	N-Acetylputrescine + H2O <=> Acetate + Putrescine	N-Acetylputrescine acetylhydrolase
R01157	Agmatine + H2O <=> Putrescine + Urea	Agmatine amidinohydrolase
R01920	S-Adenosylmethioninamine + Putrescine <=> 5'-Methylthioadenosine + Spermidine	S-adenosylmethioninamine:putrescine 3-aminopropyltransferase
R08714	Putrescine + Pyruvate <=> 4-Aminobutyraldehyde + L-Alanine	putrescine:pyruvate aminotransferase

Table of KEGG human pathways containing Putrescine

Pathway ID	Human Pathway	# of reactions
hsa00330	Arginine and proline metabolism	5
hsa01100	Metabolic pathways	3
hsa00480	Glutathione metabolism	2
hsa00270	Cysteine and methionine metabolism	1