RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0033343
RefMet name	Spermine
Systematic name	(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine
Synonyms	PubChem Synonyms
Exact mass	202.215746 (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	C10H26N4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37686 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKey	PFNFFQXMRSDOHW-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCNCCCN)CNCCCN Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Ornithine alkaloids
Sub Class	Polyamines
Distribution of Spermine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Spermine
External Links
Pubchem CID	1103
ChEBI ID	15746
KEGG ID	C00750
HMDB ID	HMDB0001256
Chemspider ID	1072
MetaCyc ID	SPERMINE
PhytoHub DB	PHUB000785
Spectral data for Spermine 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 Spermine

Rxn ID	KEGG Reaction	Enzyme
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 Spermine

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