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BioLiP

PDB CCD ID: JBU
Number of entries in BioLiP: 8
Chemical formula: C6 H10 O6
InChI: InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1
InChIKey: WPAMZTWLKIDIOP-NQXXGFSBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O
CACTVS 3.385OC[CH](O)[CH](O)CC(=O)C(O)=O
CACTVS 3.385OC[C@@H](O)[C@H](O)CC(=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(C(CO)O)O)C(=O)C(=O)O
Name:(4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid
ZINC: ZINC000001532569
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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