RefMet Compound Details

RefMet ID	RM0139715
MW structure	37784 (View MW Metabolite Database details)
RefMet name	Putrescine
Systematic name	butane-1,4-diamine
SMILES	C(CCN)CN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Fatty Acyls
Main Class	Fatty amines
Sub Class	Monoalkylamines
Pubchem CID	1045
ChEBI ID	17148
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