Succinyladenosine

Details

• Internal ID: 01e665a3-bc88-46e7-9e4d-4babaa1c61a6
• Taxonomy: Nucleosides, nucleotides, and analogues > Purine nucleosides
• IUPAC Name: (2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
• SMILES (Canonical): C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NC(CC(=O)O)C(=O)O
• SMILES (Isomeric): C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N[C@@H](CC(=O)O)C(=O)O
• InChI: InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13+/m0/s1
• InChI Key: VKGZCEJTCKHMRL-VWJPMABRSA-N
• Popularity: 47 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₇N₅O₈
• Molecular Weight: 383.31 g/mol
• Exact Mass: 383.10771252 g/mol
• Topological Polar Surface Area (TPSA): 200.00 Ų
• XlogP: -0.70

Synonyms

• Succinoadenosine
• 4542-23-8
• (S)-N-(1,2-dicarboxyethyl)-Adenosine
• N-9-ribofuranosyl-9H-purin-6-yl-Aspartic acid
• 6-(1,2-Dicarboxyethylamino)-9-beta-D-ribofuranosylpurine
• N-(9-beta-D-ribofuranosyl-9H-purin-6-yl)-L-aspartic acid
• L-Aspartic acid, N-(9-beta-D-ribofuranosyl-9H-purin-6-yl)-
• (2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)butanedioic acid
• N6-Succinyloadenosine
• FZN9Z367G5
• SCHEMBL23780815
• CHEBI:71169
• AKOS040756152
• MS-26287
• HY-113284
• N-9-ribofuranosyl-9H-purin-6-yl-Aspartate
• CS-0059510
• Adenosine, N-(1,2-dicarboxyethyl)-, (S)-
• N-(9-b-D-ribofuranosyl-9H-purin-6-yl)-L-Aspartate
• Q27139416
• 6-(1,2-Dicarboxyethylamino)-9-b-D-ribofuranosylpurine
• N-(9-b-D-ribofuranosyl-9H-purin-6-yl)-L-Aspartic acid
• N-(9-beta-delta-ribofuranosyl-9H-purin-6-yl)-L-Aspartate
• 6-(1,2-Dicarboxyethylamino)-9-beta-delta-ribofuranosylpurine
• N-(9-beta-delta-ribofuranosyl-9H-purin-6-yl)-L-Aspartic acid
• Aspartic acid, N-(9-beta-D-ribofuranosyl-9H-purin-6-yl)-, L-
• (2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid
• (2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-yl}amino)butanedioic acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.87%	96.09%
CHEMBL3589	P55263	Adenosine kinase	97.32%	98.05%
CHEMBL226	P30542	Adenosine A1 receptor	92.28%	95.93%
CHEMBL221	P23219	Cyclooxygenase-1	91.38%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.71%	99.17%
CHEMBL2581	P07339	Cathepsin D	90.36%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.46%	91.11%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.92%	96.00%
CHEMBL3776	Q14790	Caspase-8	87.89%	97.06%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.18%	99.23%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	86.37%	80.33%
CHEMBL3137261	O14744	PRMT5/MEP50 complex	84.37%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.77%	89.00%
CHEMBL1881	P43116	Prostanoid EP2 receptor	81.35%	93.00%
CHEMBL3401	O75469	Pregnane X receptor	80.53%	94.73%

Plants that contains it

• Zea mays

Cross-Links

• PubChem: 20849086
• LOTUS: LTS0176098
• wikiData: Q27139416