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UDX : Summary
Code
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UDX
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One-letter code
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X
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Molecule name
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URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
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Synonyms
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UDP-ALPHA-D-XYLOPYRANOSE
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Systematic names
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Formula
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C14 H22 N2 O16 P2
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Formal charge
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0
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Molecular weight
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536.276 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O |
SMILES
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CACTVS |
3.341 |
O[CH]1CO[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@@H]1CO[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1 |
IUPAC InChI key | DQQDLYVHOTZLOR-OCIMBMBZSA-N |
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wwPDB Information |
Atom count
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56 (34 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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1999-12-13
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Last modified at
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2021-03-01
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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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