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BioLiP

PDB CCD ID: ISE
Number of entries in BioLiP: 5
Chemical formula: C6 H10 O6
InChI: InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5-
InChIKey: VYEGBDHSGHXOGT-HYFGLKJPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1(C(C(C(=O)C(C1O)O)O)O)O
ACDLabs 12.01O=C1C(O)C(O)C(O)C(O)C1O
CACTVS 3.370O[CH]1[CH](O)[CH](O)C(=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O
CACTVS 3.370O[C@H]1[C@H](O)[C@@H](O)C(=O)[C@@H](O)[C@@H]1O
Name:(2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone;
Inosose;
Myo-inosose
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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