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BioLiP

PDB CCD ID: TGS
Number of entries in BioLiP: 10
Chemical formula: C6 H12 O5
InChI: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1
InChIKey: UCLAXLMTPFNPGE-RPDRRWSUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O
ACDLabs 12.01CC(O)C(C(C(CO)O)O)=O
CACTVS 3.385C[CH](O)C(=O)[CH](O)[CH](O)CO
CACTVS 3.385C[C@H](O)C(=O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.9.2CC(C(=O)C(C(CO)O)O)O
Name:1-deoxy-D-xylo-hex-3-ulose;
1-deoxy 3-keto-D-galactitol
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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