NEA
5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE
Find entries where: NEA
is present as a standalone ligand in 8 entries
Chemical Component Summary | |
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Name | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE |
Identifiers | (2S,3S,4R,5R)-2-(2-aminoethylsulfanylmethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol |
Formula | C12 H18 N6 O3 S |
Molecular Weight | 326.375 |
Type | NON-POLYMER |
Isomeric SMILES | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O)N |
InChI | InChI=1S/C12H18N6O3S/c13-1-2-22-3-6-8(19)9(20)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,1-3,13H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1 |
InChIKey | APAPOJUCRZTCHD-WOUKDFQISA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 40 |
Chiral Atom Count | 4 |
Bond Count | 42 |
Aromatic Bond Count | 10 |
Related Resource References
Resource Name | Reference |
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PubChem | 445762 |
ChEMBL | CHEMBL563938 |