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BioLiP

PDB CCD ID: DXN
Number of entries in BioLiP: 0
Chemical formula: C6 H13 O6 P
InChI: InChI=1/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1/f/h9-10H
InChIKey: BSAJVOLDMHTVPM-RSYUNOELDY
SMILES:
SoftwareSMILES
CACTVS 3.341O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)C1
OpenEye OEToolkits 1.5.0C1C(CC(C1COP(=O)(O)O)O)O
ACDLabs 10.04O=P(OCC1CC(O)CC1O)(O)O
CACTVS 3.341O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)C1
OpenEye OEToolkits 1.5.0C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O
Name:(1R,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL
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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