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BioLiP

PDB CCD ID: M5M
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N4 O8 P
InChI: InChI=1S/C11H17N4O8P/c1-5(16)13-8-9(17)6(4-22-24(19,20)21)23-10(8)15-3-2-7(12)14-11(15)18/h2-3,6,8-10,17H,4H2,1H3,(H,13,16)(H2,12,14,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1
InChIKey: WPJHNTZXIXFENS-PEBGCTIMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
CACTVS 3.341CC(=O)N[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O)N
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2NC(=O)C)COP(=O)(O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=O)N
Name:2'-(N-ACETAMIDE)-CYTIDINE-5'-MONOPHOSPHATE
ZINC: ZINC000058631865
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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