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BioLiP

PDB CCD ID: IOW
Number of entries in BioLiP: 1
Chemical formula: C6 H8 O6
InChI: InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey: YRWAMSXHYBBHFL-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@](O)(CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(CC(=O)C(=O)O)(C(=O)O)O
CACTVS 3.385C[C](O)(CC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C[C@](CC(=O)C(=O)O)(C(=O)O)O
Name:(2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid
ZINC: ZINC000001529880
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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