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- ChemComp-C3P: CYTIDINE-3'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: C3P
NameName: cytidine-3'-monophosphate

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Chemical information

Composition
Formula: C9H14N3O8P / Number of atoms: 35 / Formula weight: 323.197 / Formal charge: 0
Others

1rpf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C3P / Model coordinates PDB-ID: 1RPF
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / 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(OP(=O)(O)O)C2O)CO
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O[P](O)(O)=O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(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 1.03UOOOPKANIPLQPU-XVFCMESISA-N

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SYSTEMATIC NAME

ACDLabs 10.043'-cytidylic acid
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-1rpf:
THE STRUCTURES OF RNASE COMPLEXED WITH 3'-CMP AND D(CPA): ACTIVE SITE CONFORMATION AND CONSERVED WATER MOLECULES

PDB-3djv:
Bovine Seminal Ribonuclease- cytidine 3' phosphate complex

PDB-5et4:
Structure of RNase A-K7H/R10H in complex with 3'-CMP

PDB-5ogh:
Structure of RNase A at high resolution (1.16 A) in complex with 3'-CMP and sulphate ions

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