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UDN : Summary
Code
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UDN
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One-letter code
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X
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Molecule name
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Uridine-Diphosphate-Methylene-N-acetyl-galactosamine
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Systematic names
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Formula
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C18 H29 N3 O16 P2
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Formal charge
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0
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Molecular weight
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605.381 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)NC1C(OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1C[P](O)(=O)O[P](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O |
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IUPAC InChI | InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9+,10-,12+,13+,14-,15-,16-,17-/m1/s1 |
IUPAC InChI key | KUFKOJZYUNOEES-HCUIDVLSSA-N |
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wwPDB Information |
Atom count
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68 (39 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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2017-10-15
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Last modified at
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2018-02-02
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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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