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BioLiP Library

PDB CCD ID: 7D1
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O4
InChI: InChI=1S/C6H12O4/c7-3-5-6(9)4(8)1-2-10-5/h4-9H,1-3H2/t4-,5-,6+/m1/s1
InChIKey: QFHKFGOUFKUPNX-PBXRRBTRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CO[C@@H]([C@H]([C@@H]1O)O)CO
CACTVS 3.385OC[C@H]1OCC[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1OCC[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C1COC(C(C1O)O)CO
Name:1,5-anhydro-2-deoxy-D-arabino-hexitol;
(2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol;
1,2-dideoxy-D-mannopyranose
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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