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BioLiP

PDB CCD ID: GKR
Number of entries in BioLiP: 10
Chemical formula: C6 H8 O8
InChI: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4+/m0/s1
InChIKey: DSLZVSRJTYRBFB-LLEIAEIESA-L
SMILES:
SoftwareSMILES
CACTVS 3.341O[C@@H]([C@H](O)[C@H](O)C([O-])=O)[C@@H](O)C([O-])=O
OpenEye OEToolkits 1.5.0[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O
ACDLabs 10.04[O-]C(=O)C(O)C(O)C(O)C(O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O
CACTVS 3.341O[CH]([CH](O)[CH](O)C([O-])=O)[CH](O)C([O-])=O
Name:D-GLUCARATE
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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