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BioLiP

PDB CCD ID: 63T
Number of entries in BioLiP: 0
Chemical formula: C5 H9 O7 P
InChI: InChI=1S/C5H9O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-4,6H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1
InChIKey: HVOUTFMBJJOKCH-IUYQGCFVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O
ACDLabs 12.01O(CC1OC(CC1O)=O)P(O)(O)=O
CACTVS 3.385O[C@H]1CC(=O)O[C@@H]1CO[P](O)(O)=O
OpenEye OEToolkits 2.0.4C1C(C(OC1=O)COP(=O)(O)O)O
CACTVS 3.385O[CH]1CC(=O)O[CH]1CO[P](O)(O)=O
Name:[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
ZINC: ZINC000584905232
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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