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BioLiP Library

PDB CCD ID: 8YV
Number of entries in BioLiP: 4
Chemical formula: C6 H10 O7
InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1
InChIKey: VBUYCZFBVCCYFD-JJYYJPOSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(C(C(C(C(=O)C(=O)O)O)O)O)O
ACDLabs 12.01C(C(CO)O)(O)C(C(C(=O)O)=O)O
OpenEye OEToolkits 2.0.6C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)C(=O)C(O)=O
CACTVS 3.385OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O
Name:2-keto-D-gluconic acid;
(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid;
D-fructosonic acid
ZINC: ZINC000100028860
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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