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BioLiP

PDB CCD ID: UVC
Number of entries in BioLiP: 8
Chemical formula: C9 H12 N2 O9 V
InChI: InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6-,7-,8-;;;;/m1..../s1
InChIKey: JSPAHXDHRUTBDP-ODQFIEKDSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C3C(C(O2)CO)O[V](=O)(O3)(O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O
CACTVS 3.341OC[CH]1O[CH]([CH]2O[V](O)(O)(=O)O[CH]12)N3C=CC(=O)NC3=O
CACTVS 3.341OC[C@H]1O[C@H]([C@@H]2O[V](O)(O)(=O)O[C@H]12)N3C=CC(=O)NC3=O
ACDLabs 10.04O=[V]1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O
Name:URIDINE-2',3'-VANADATE
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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