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BioLiP

PDB CCD ID: KBG
Number of entries in BioLiP: 1
Chemical formula: C6 H10 O6
InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1
InChIKey: FYWIDDXZIOQEQU-KAQMDTKVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@@H](O)C(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(=O)C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)C(=O)[CH](O)[CH]1O
ACDLabs 10.04O=C1C(O)OC(CO)C(O)C1O
Name:beta-D-arabino-hexopyranos-2-ulose;
2-KETO-BETA-D-GLUCOSE;
beta-D-arabino-hexos-2-ulose;
D-arabino-hexos-2-ulose;
arabino-hexos-2-ulose
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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