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BioLiP

PDB CCD ID: FOC
Number of entries in BioLiP: 14
Chemical formula: C6 H14 O5
InChI: InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChIKey: SKCKOFZKJLZSFA-KCDKBNATSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0CC(C(C(C(CO)O)O)O)O
ACDLabs 10.04OC(C(O)C)C(O)C(O)CO
CACTVS 3.341C[CH](O)[CH](O)[CH](O)[CH](O)CO
Name:FUCITOL
DrugBank: DB03815
ZINC: ZINC000002575033
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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