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BioLiP

PDB CCD ID: 6MI
Number of entries in BioLiP: 0
Chemical formula: C12 H16 N5 O8 P
InChI: InChI=1S/C12H16N5O8P/c1-4-11(20)17(9-8(14-4)10(19)16-12(13)15-9)7-2-5(18)6(25-7)3-24-26(21,22)23/h5-7,18H,2-3H2,1H3,(H2,21,22,23)(H3,13,15,16,19)/t5?,6-,7-/m1/s1
InChIKey: ZHNPRYPLFLWMLI-JXBXZBNISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=NC2=C(NC(=NC2=O)N)N(C1=O)[C@H]3CC(C(O3)COP(=O)(O)O)O
CACTVS 3.341CC1=NC2=C(NC(=NC2=O)N)N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C1=O
OpenEye OEToolkits 1.5.0CC1=NC2=C(NC(=NC2=O)N)N(C1=O)C3CC(C(O3)COP(=O)(O)O)O
CACTVS 3.341CC1=NC2=C(NC(=NC2=O)N)N([C@H]3C[C@@H](O)[C@@H](CO[P](O)(O)=O)O3)C1=O
ACDLabs 10.04O=C2N=C(N)NC=1N(C(=O)C(=NC=12)C)C3OC(C(O)C3)COP(=O)(O)O
Name:6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)ISOXANTHOPTERIDINE
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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