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BioLiP

PDB CCD ID: X9X
Number of entries in BioLiP: 2
Chemical formula: C6 H14 O6
InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+
InChIKey: FBPFZTCFMRRESA-FBXFSONDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)CO
CACTVS 3.385OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
ACDLabs 12.01OC(C(O)CO)C(O)C(O)CO
OpenEye OEToolkits 1.9.2C(C(C(C(C(CO)O)O)O)O)O
OpenEye OEToolkits 1.9.2C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O
Name:D-allitol
ZINC: ZINC000017836367
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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