RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0156449
RefMet name	S-Adenosylmethioninamine
Systematic name	{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(3-aminopropyl)methylsulfanium
Synonyms	PubChem Synonyms
Exact mass	355.155236 (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	C14H23N6O3S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37533 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2, 16,17,18)/q+1/t8-,10-,11-,14-,24?/m1/s1
InChIKey	ZUNBITIXDCPNSD-LSRJEVITSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[S+](CCCN)C[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Other purines
Distribution of S-Adenosylmethioninamine 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 S-Adenosylmethioninamine
External Links
Pubchem CID	439415
ChEBI ID	15625
KEGG ID	C01137
HMDB ID	HMDB0000988
Chemspider ID	388529
MetaCyc ID	S-ADENOSYLMETHIONINAMINE
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 S-Adenosylmethioninamine

Rxn ID	KEGG Reaction	Enzyme
R00178	S-Adenosyl-L-methionine + H+ <=> S-Adenosylmethioninamine + CO2	S-adenosyl-L-methionine carboxy-lyase [S-adenosyl 3-(methylsulfanyl)propylamine-forming]
R01920	S-Adenosylmethioninamine + Putrescine <=> 5'-Methylthioadenosine + Spermidine	S-adenosylmethioninamine:putrescine 3-aminopropyltransferase
R02869	S-Adenosylmethioninamine + Spermidine <=> 5'-Methylthioadenosine + Spermine	S-adenosylmethioninamine:spermidine 3-aminopropyltransferase

Table of KEGG human pathways containing S-Adenosylmethioninamine

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