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BioLiP Library

PDB CCD ID: B9H
Number of entries in BioLiP: 0
Chemical formula: C13 H24 N3 O8 P
InChI: InChI=1S/C13H24N3O8P/c1-3-5-15-9(14)4-6-16(13(15)18)12-11(22-2)10(17)8(24-12)7-23-25(19,20)21/h4,6,8-12,17H,3,5,7,14H2,1-2H3,(H2,19,20,21)/t8-,9-,10-,11-,12-/m1/s1
InChIKey: GQHNKIBEOWBMPQ-LZQZFOIKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N
OpenEye OEToolkits 2.0.6CCCN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)OC)N
CACTVS 3.385CCCN1[C@@H](N)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OC)C1=O
CACTVS 3.385CCCN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OC)C1=O
Name:2'-methyl, 3-propyl, cytidine-5'-monophosphate
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)(download the PDF file).
  • 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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