cytidine   

GtoPdb Ligand ID: 4728

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 130.83
Molecular weight 243.09
XLogP -0.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1OC(C(C1O)O)n1ccc(nc1=O)N
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N
InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChI Key UHDGCWIWMRVCDJ-XVFCMESISA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Database Links
CAS Registry No. 65-46-3 (source: Scifinder)
ChEBI CHEBI:17562
ChEMBL Ligand CHEMBL95606
DrugBank Ligand DB02097
GtoPdb PubChem SID 178101439
PubChem CID 6175
RCSB PDB Ligand CTN
Search Google for chemical match using the InChIKey UHDGCWIWMRVCDJ-XVFCMESISA-N
Search Google for chemicals with the same backbone UHDGCWIWMRVCDJ
Search UniChem for chemical match using the InChIKey UHDGCWIWMRVCDJ-XVFCMESISA-N
Search UniChem for chemicals with the same backbone UHDGCWIWMRVCDJ
Wikipedia Cytidine