UCSF

ZINC04228231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 27 No

Popular Name: S-Adenosyl-L-methionine S-Adenosyl-L-methionine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 101020-79-5 , 111093-45-9 , 17176-17-9 , 24346-00-7 , 29908-03-0 , 3493-13-8 , 485-80-3 , 52248-03-0 , 58994-55-1 , 97540-22-2 , [101020-79-5] , [17176-17-9] , [24346-00-7] , [29908-03-0] , [3493-13-8] , [52248-03-0] , [97540-22-2]

Other Names:

(3S)-5'-((3-Amino-3-carboxylatopropyl)methylsulphonio)-5'-deoxyadenosine; Active methionine; Ademetionine; Adenosine, 5'-(((3S)-3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, inner salt; Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy

(3S)-5'-((3-Amino-3-carboxylatopropyl)methylsulphonio)-5'-deoxyadenosine; Ademetionine; Adenosine, 5'-(((3S)-3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, inner salt; Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, inner salt, (3S)

(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt; AdoMet; S-(5'-deoxyadenosin-5'-yl)-L-methionine; S-adenosyl-L-methionine(1+); SAM; SAMe; [1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](m

(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt; [1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium; 2-S-adenosyl-L-methionine; 5'-Deoxyadenosine-5'-L-methionine disulfate d

(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine; 2-S-Adenosyl-L-methionine; 5'-Deoxyadenosine-5'-L-methionine disulfate ditosylate; Active methionine; Ademetionine; Adenosylmethionine; AdoMet; Donamet; L-S-Adenosylmethionine; S-(5'-Ade

(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine;2-S-Adenosyl-L-methionine;5'-Deoxyadenosine-5'-L-methionine disulfate ditosylate;5'-Deoxyadenosine-5'-L-methionine disulphate ditosylate;Active methionine;Ademetionine;Adenosylmethionine

(3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine;2-S-Adenosyl-L-methionine;5'-Deoxyadenosine-5'-L-methionine disulfate ditosylate;Active methionine;Ademetionine;Adenosylmethionine;AdoMet;Donamet;L-S-Adenosylmethionine;S-(5'-Adenosyl)-L-

(R)-S-adenosyl-L-methionine

2-S-adenosyl-L-methionine; 29908-03-0; AdoMet; S-adenosyl-L-methionine; S-adenosyl-methionine; S-adenosylmethionine; SAM; adenosylmethionine

29908-03-0; AdoMet; C00019; S-Adenosyl-L-methionine; S-Adenosylmethionine; SAM

5'-[[(3S)-3-Amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-adenosine chloride

5'-[[(3S)-3-Amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-Adenosine iodide

5'-[[(3S)-3-Amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-Adenosine tosylate

58994-55-1; Ademetionine tosilate disulfate; D07592; Gumbaral (TN); S-Adenosylmethionine disulfate ditosylate

Acylcarnitine

Ademetionine

Ademetionine (INN)

Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, (S)-, salt with 4-methylbenzenesulfonic acid, sulfate (salt) (1:1:2); Adenosylmethionine tosylate bis(sulfate); FO-1561; LS-15089; S-Adenosyl-L-methionine sulfate tosylate

AdoMet

CHEBI:527887; CHEBI:10833; CHEBI:45607; CHEBI:12757; CHEBI:22036; CHEBI:10786; CHEBI:8946; CHEBI:12742; CHEBI:12760

Donamet

LS-190237

MFCD00036337

MFCD00043192

MFCD00063498

MFCD00135929

MFCD00871208

MFCD01674068

N/A

NA

QB-2089

S-(5'-Adenosyl)-L-methionine p-toluenesulfonate salt

S-Adenosyl-DL-methionine

S-adenosyl-L-methioninate

S-Adenosyl-L-methionine 1,4-butanedisulfonate sodium salt

S-Adenosyl-L-methionine disulfate tosylate

S-adenosyl-L-methionine zwitterion

S-adenosyl-l-[methyl-3h]methionine

S-Adenosylmethionine

S. Amet

SAM

SAM-e

Sam-Sulfate

SAMe

SAMe Rx-Mood

SAMe-1,4-Butanedisulfonate

SAME-PTS

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.01 0.79 -51.2 7 11 0 187 399.453 7 ↓
Hi High (pH 8-9.5) -5.01 0.49 -69.43 6 11 0 185 398.445 7 ↓
Hi High (pH 8-9.5) 2.62 5.08 -1.97 0 0 0 0 126.139 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.19e+00 g/l DrugBank-nutriceuticals
UniProt Database Links 1A111_ARATH; 1A11_CUCMA; 1A11_CUCPE; 1A11_ORYSI; 1A11_ORYSJ; 1A11_PRUMU; 1A12_ARATH; 1A12_CUCMA; 1A12_CUCPE; 1A12_SOLLC; 1A13_SOLLC; 1A14_ARATH; 1A14_SOLLC; 1A15_ARATH; 1A16_ARATH; 1A17_ARATH; 1A18_ARATH; 1A19_ARATH; 1A1C_DIACA; 1A1C_MALDO; 1A1C_SOYBN; 1A ChEBI
Purity 95% Fluorochem
Patent Database Links EP1712557; EP1982721; EP1992322; US2005239178; WO2005106007; WO2006000883 ChEBI
Reactome Database Links REACT_10041; REACT_121126; REACT_14840; REACT_15383; REACT_15442; REACT_15531; REACT_15553; REACT_160074; REACT_160103; REACT_160175; REACT_163988; REACT_169206; REACT_169237; REACT_169424; REACT_172687; REACT_2094; REACT_25068; REACT_27242; REACT_404; RE ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DCAM-1-E S-adenosylmethionine Decarboxylase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3800 0.28 Binding ≤ 10μM
PNMT-1-E Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic Eukaryotes 4800 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PNMT_HUMAN P11086 Phenylethanolamine N-methyltransferase, Human 4800 0.28 Binding ≤ 10μM
DCAM_HUMAN P17707 S-adenosylmethionine Decarboxylase 1, Human 3800 0.28 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Catecholamine biosynthesis
Cobalamin (Cbl, vitamin B12) transport and metabolism
Condensation of Prophase Chromosomes
Creatine metabolism
Defective MTRR causes methylmalonic aciduria and homocystinuria type cblE
Enzymatic degradation of dopamine by COMT
Enzymatic degradation of Dopamine by monoamine oxidase
formation of the beta-catenin:TCF transactivating complex
Meiotic Recombination
Metabolism of polyamines
Methylation
Molybdenum cofactor biosynthesis
mRNA Capping
NoRC negatively regulates rRNA expression
Oxidative Stress Induced Senescence
PRC2 methylates histones and DNA
RMTs methylate histone arginines
Senescence-Associated Secretory Phenotype (SASP)
Serotonin and melatonin biosynthesis
SIRT1 negatively regulates rRNA Expression
snRNP Assembly
Sulfur amino acid metabolism
Synthesis of PC
Ubiquinol biosynthesis

Reactome Annotations from Targets (via Uniprot)

Description Species
Catecholamine biosynthesis
Metabolism of polyamines

Analogs ( Draw Identity 99% 90% 80% 70% )