RefMet Compound Details

RefMet ID	RM0041813
MW structure	37687 (View MW Metabolite Database details)
RefMet name	Spermidine
Systematic name	(4-aminobutyl)(3-aminopropyl)amine
SMILES	C(CCNCCCN)CN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	145.157897 (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	C7H19N3	View other entries in RefMet with this formula
InChI	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKey	ATHGHQPFGPMSJY-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Alkaloids
Main Class	Ornithine alkaloids
Sub Class	Polyamines
Pubchem CID	1102
ChEBI ID	16610
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Spermidine

Rxn ID	KEGG Reaction	Enzyme
R01920	S-Adenosylmethioninamine + Putrescine <=> 5'-Methylthioadenosine + Spermidine	S-adenosylmethioninamine:putrescine 3-aminopropyltransferase
R02869	S-Adenosylmethioninamine + Spermidine <=> 5'-Methylthioadenosine + Spermine	S-adenosylmethioninamine:spermidine 3-aminopropyltransferase
R09076	Spermine + Oxygen + H2O <=> Spermidine + 3-Aminopropanal + Hydrogen peroxide	spermidine:oxygen oxidoreductase (spermidine-forming)

Table of KEGG human pathways containing Spermidine

Pathway ID	Human Pathway	# of reactions
hsa00330	Arginine and proline metabolism	3
hsa00270	Cysteine and methionine metabolism	2
hsa00480	Glutathione metabolism	2
hsa00410	beta-Alanine metabolism	1