Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L5RQ9B
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| Ligand Name |
Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol
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| Synonyms |
Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol; A3R
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| Structure |
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Download2D MOL |
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| Formula |
C15H24N6O11P2
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| Canonical SMILES |
C1C(CNC1COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)O
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| InChI |
1S/C15H24N6O11P2/c16-13-10-14(19-5-18-13)21(6-20-10)15-12(24)11(23)9(31-15)4-30-34(27,28)32-33(25,26)29-3-7-1-8(22)2-17-7/h5-9,11-12,15,17,22-24H,1-4H2,(H,25,26)(H,27,28)(H2,16,18,19)/t7-,8+,9+,11+,12+,15+/m0/s1
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| InChIKey |
PHEYQOBMMIEFLO-IBCGMDAMSA-N
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| PubChem Compound ID | ||||
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