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BioLiP

PDB CCD ID: FV1
Number of entries in BioLiP: 1
Chemical formula: C3 H8 O7 P V
InChI: InChI=1S/C3H7O4P.2H2O.O.V/c1-2-3(7-2)8(4,5)6;;;;/h2-3H,1H3,(H2,4,5,6);2*1H2;;/q;;;;+3/p-3/t2-,3+;;;;/m0..../s1
InChIKey: NKJNPQRWDUSUDP-VKZMHLLXSA-K
SMILES:
SoftwareSMILES
CACTVS 3.370C[CH]1O[CH]1[P](O)(=O)O[V](O)(O)=O
ACDLabs 12.01O=[V](OP(=O)(O)C1OC1C)(O)O
OpenEye OEToolkits 1.7.2C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O
CACTVS 3.370C[C@@H]1O[C@@H]1[P](O)(=O)O[V](O)(O)=O
OpenEye OEToolkits 1.7.2CC1C(O1)P(=O)(O)O[V](=O)(O)O
Name:dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium

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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