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BioLiP

PDB CCD ID: CCC
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N3 O10 P2
InChI: InChI=1S/C9H13N3O10P2/c10-5-1-2-12(9(13)11-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
InChIKey: IZJNKZMLZILGRK-XVFCMESISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C3C(C(O2)COP(=O)(O)O)OP(=O)(O3)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH]3O[P](O)(=O)O[CH]23
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)(O3)O
ACDLabs 10.04O=P1(OC2C(OC(C2O1)COP(=O)(O)O)N3C=CC(=NC3=O)N)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@H]3O[P@@](O)(=O)O[C@@H]23
Name:CYTIDINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
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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