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- ChemComp-C: CYTIDINE-5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: C
NameName: cytidine-5'-monophosphate

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Chemical information

Composition
Formula: C9H14N3O8P / Number of atoms: 35 / Formula weight: 323.197 / Formal charge: 0
OthersType: RNA LINKING / PDB classification: ATOMN / One letter code: C / Three letter code: C
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / DrugBank / HMDB / KEGG_Ligand / Metabolights / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=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,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

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InChIKey

InChI 1.03IERHLVCPSMICTF-XVFCMESISA-N

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SYSTEMATIC NAME

ACDLabs 10.045'-cytidylic acid
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 3 items

PDB-11bq:
Escherichia coli 70S ribosome containing an evolved 16S rRNA (EC-S3.5)

PDB-5d4d:
Crystal structure of Thermus thermophilus product complex for transcription initiation with NAD and CTP

PDB-9hil:
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with Cytidine-5'-monophosphate (CMP)

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