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OMP : Summary
Code
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OMP
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One-letter code
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X
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Molecule name
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OROTIDINE-5'-MONOPHOSPHATE
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Systematic names
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Formula
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C10 H13 N2 O11 P
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Formal charge
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0
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Molecular weight
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368.191 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O |
SMILES
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CACTVS |
3.385 |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.5 |
C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.5 |
C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O |
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IUPAC InChI | InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1 |
IUPAC InChI key | KYOBSHFOBAOFBF-XVFCMESISA-N |
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wwPDB Information |
Atom count
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37 (24 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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1999-07-08
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Last modified at
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2012-01-05
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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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