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BioLiP

PDB CCD ID: 3BU
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O6
InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1
InChIKey: GZCGUPFRVQAUEE-MOJAZDJTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)[CH](O)C=O
ACDLabs 12.01O=CC(O)C(O)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C(C(C(C(C(C=O)O)O)O)O)O
CACTVS 3.370OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O
Name:L-allose
ZINC: ZINC000084394822
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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