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YMP : Summary
Code
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YMP
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One-letter code
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X
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Molecule name
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O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE
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Systematic names
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Formula
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C19 H24 N7 O8 P
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Formal charge
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0
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Molecular weight
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509.41 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4 |
SMILES
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CACTVS |
3.341 |
N[CH](Cc1ccc(O)cc1)C(=O)N[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CC(C(=O)NP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N)O |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C[C@@H](C(=O)N[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O |
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IUPAC InChI | InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H2,21,22,23)(H2,25,30,31,32)/t11-,12+,14+,15+,19+/m0/s1 |
IUPAC InChI key | WJKRKCCMHCWYJU-QTOWJTHWSA-N |
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wwPDB Information |
Atom count
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59 (35 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2006-05-02
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Last modified at
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2020-05-26
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Status
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Released
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Obsoleted
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Not Assigned
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