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BioLiP

PDB CCD ID: SSH
Number of entries in BioLiP: 8
Chemical formula: C6 H12 O6
InChI: InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1
InChIKey: YGMNHEPVTNXLLS-VAYJURFESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)C[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)C(C(=O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O
ACDLabs 10.04O=C(O)C(O)CC(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O
Name:3-DEOXY-D-ARABINO-HEXONIC ACID;
D-2-KETO-3-DEOXYGLUCONATE
DrugBank: DB03303
ZINC: ZINC000004803503
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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