S-adenosyl-L-homocysteine
Internal ID | 987c8c8e-7166-48bd-9638-6cadcec182c6 |
Taxonomy | Nucleosides, nucleotides, and analogues > 5-deoxyribonucleosides > 5-deoxy-5-thionucleosides |
IUPAC Name | (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid |
SMILES (Canonical) | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N |
SMILES (Isomeric) | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N |
InChI | InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 |
InChI Key | ZJUKTBDSGOFHSH-WFMPWKQPSA-N |
Popularity | 5,670 references in papers |
Molecular Formula | C14H20N6O5S |
Molecular Weight | 384.41 g/mol |
Exact Mass | 384.12158893 g/mol |
Topological Polar Surface Area (TPSA) | 208.00 Ų |
XlogP | -3.50 |
S-adenosyl-L-homocysteine |
979-92-0 |
AdoHcy |
S-(5'-adenosyl)-L-homocysteine |
S-(5'-deoxyadenosin-5'-yl)-L-homocysteine |
adenosylhomocysteine |
Formycinylhomocysteine |
5'-Deoxy-S-adenosyl-L-homocysteine |
Adenosyl-L-homocysteine |
L-Homocysteine, S-(5'-deoxyadenosin-5'-yl)- |
There are more than 10 synonyms. If you wish to see them all click here. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 |
200 nM |
IC50 |
via Super-PRED
|
CHEMBL5406 | Q86X55 | Histone-arginine methyltransferase CARM1 |
400 nM |
Ki |
via Super-PRED
|
CHEMBL1795117 | Q8TEK3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific |
170 nM 150 nM |
IC50 Kd |
via Super-PRED
via Super-PRED |
CHEMBL6032 | Q96KQ7 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 |
570 nM |
Ki |
via Super-PRED
|
CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 |
230 nM |
IC50 |
via Super-PRED
|
CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
125.9 nM |
Potency |
via Super-PRED
|
CHEMBL3137261 | O14744 | PRMT5/MEP50 complex |
560 nM |
IC50 |
via Super-PRED
|
CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 |
420 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.23% | 96.09% |
CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 92.62% | 95.48% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.11% | 83.82% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 87.39% | 80.33% |
CHEMBL3589 | P55263 | Adenosine kinase | 87.13% | 98.05% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.28% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 84.54% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.63% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.24% | 86.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.15% | 90.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.10% | 91.11% |
CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 80.76% | 88.84% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.29% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.26% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Solanum lycopersicum |
PubChem | 439155 |
LOTUS | LTS0163370 |
wikiData | Q307434 |