RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0041813
RefMet name	Spermidine
Systematic name	(4-aminobutyl)(3-aminopropyl)amine
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37687 (Download molfile/View MW Metabolite Database details)
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
SMILES	C(CCNCCCN)CN Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Ornithine alkaloids
Sub Class	Polyamines
Distribution of Spermidine 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 Spermidine
External Links
Pubchem CID	1102
ChEBI ID	16610
KEGG ID	C00315
HMDB ID	HMDB0001257
Chemspider ID	1071
MetaCyc ID	SPERMIDINE
EPA CompTox	DTXCID2016645
PhytoHub DB	PHUB000784
Spectral data for Spermidine 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 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