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BioLiP

PDB CCD ID: NHF
Number of entries in BioLiP: 11
Chemical formula: C6 H10 O5
InChI: InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1
InChIKey: OCLOLUFOLJIQDC-HSUXUTPPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[C@H]1OCC(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(=O)C(C(C(O1)CO)O)O
CACTVS 3.341OC[CH]1OCC(=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O
ACDLabs 10.04O=C1COC(CO)C(O)C1O
Name:1,5-anhydro-D-fructose
ChEMBL: CHEMBL1234723
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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