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CH : Summary
Code
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CH
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One-letter code
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C
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Molecule name
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N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE
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Systematic names
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Formula
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C9 H15 N3 O8 P
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Formal charge
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1
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Molecular weight
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324.204 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O |
SMILES
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CACTVS |
3.341 |
NC1=CC=[N+]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=C(NC(=O)[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
NC1=CC=[N+]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N |
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IUPAC InChI | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1 |
IUPAC InChI key | ULTJSGLMABORQB-XVFCMESISA-O |
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wwPDB Information |
Atom count
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36 (21 without Hydrogen)
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Polymer type
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Ribonucleotide
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Type description
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RNA LINKING
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Type code
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ATOMN
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Is modified
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Yes
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Standard parent
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C
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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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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