| Number |
qtl-m1776 |
| Declustering Potential(DP) |
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| Collision Energy(CE) |
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| Observed mass(Da) |
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| Exact mass(Da) |
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| Accurate mass error(ppm) |
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| Molecular formula |
|
| Ionization model |
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| Ret. Time(min) |
|
| Precursor ions(Q1) |
399.1 |
| Product ions(Q3) |
250.1 |
| Main fragments |
|
| Compound |
S-(5'-Adenosyl)-L-methionine |
| Identification |
|
| class |
|
| Organism |
|
| Reference |
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| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:15414 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
3576439;; |
| BioModels Database Links |
BIOMD0000000602;;BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000470;;BIOMD0000000469;;BIOMD0000000450;;BIOMD0000000268;;BIOMD0000000212;;BIOMD0000000190;;BIOMD0000000068;;BIOMD0000000015;; |
| CAS Registry Numbers |
29908-03-0;; |
| COMe Database Links |
MOL000172;; |
| ChEBI ID |
|
| ChEBI Name |
S-adenosyl-L-methionine;; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
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| Definition |
A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.;; |
| DrugBank Database Links |
DB00118;; |
| Formulae |
C15H23N6O5S;; |
| Gmelin Registry Numbers |
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| INN |
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| IUPAC Names |
[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium;; |
| InChI |
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1;; |
| InChIKey |
MEFKEPWMEQBLKI-AIRLBKTGSA-O;; |
| IntAct Database Links |
EBI-912750;;EBI-912652;;EBI-912646;;EBI-912640;;EBI-912634;;EBI-912628;;EBI-912591;;EBI-912570;;EBI-2615636;;EBI-2008878;;EBI-11165569;; |
| IntEnz Database Links |
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| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
|
| Last Modified |
04 Apr 2016;; |
| Mass |
399.44500;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
WO2006000883;;WO2005106007;;US2005239178;;EP1992322;;EP1982721;;EP1712557;; |
| PubChem Database Links |
8145813;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9490063;;8770875;;8504169;;7359002;;6870865;;6810706;;6115113;;3828399;;19212411;;17439666;;17200133;;16412817;;15967423;;15774826;;15754283;;12736383;;11237188;;11017945;; |
| RESID Database Links |
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| Reactome Database Links |
R-HSA-947535;;R-HSA-77090;;R-HSA-71286;;R-HSA-6788707;;R-HSA-6788684;;R-HSA-6788668;;R-HSA-6786621;;R-HSA-6786571;;R-HSA-6786567;;R-HSA-6786501;;R-HSA-6786500;;R-HSA-6785438;;R-HSA-6785409;;R-HSA-6783492;;R-HSA-6783473;;R-HSA-6782895;;R-HSA-6782893;;R-HSA |
| Rhea Database Links |
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| SABIO-RK Database Links |
9987;;9973;;96;;912;;8885;;8603;;834;;7637;;732;;731;;707;;7034;;7010;;7009;;6766;;6444;;6399;;6390;;6382;;6369;;6294;;5368;;5348;;4796;;4779;;4665;;4371;;4114;;3947;;3679;;3486;;3354;;3222;;317;;3057;;2779;;2770;;2148;;2136;;2073;;2059;;1943;;1534;;1505; |
| SMILES |
C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12;; |
| Secondary ChEBI ID |
CHEBI:527887;;CHEBI:8946;;CHEBI:10786;;CHEBI:22036;;CHEBI:12757;;CHEBI:12760;;CHEBI:12742;;CHEBI:10833;;CHEBI:45607;; |
| Star |
3;; |
| Synonyms |
[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium;;[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium;;SAMe;;SAM;;S-adenosyl-L-methio |
| UM-BBD compID Database Links |
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| UniProt Database Links |
Q9ZWT1;;Q9ZWH8;;Q9ZWC5;;Q9ZW33;;Q9ZUN4;;Q9ZUM9;;Q9ZTT5;;Q9ZSM8;;Q9ZSK1;;Q9ZSE4;;Q9ZQZ1;;Q9ZQV9;;Q9ZQV8;;Q9ZQV7;;Q9ZQV6;;Q9ZQV3;;Q9ZQ12;;Q9ZPY0;;Q9ZPR1;;Q9ZNU2;;Q9ZMY2;;Q9ZMV6;;Q9ZMN5;;Q9ZMG6;;Q9ZMF0;;Q9ZM61;;Q9ZM60;;Q9ZLS8;;Q9ZLH0;;Q9ZLD4;;Q9ZLA9;;Q9ZL96; |
| ChEBI Image |
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