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BioLiP

PDB CCD ID: R35
Number of entries in BioLiP: 0
Chemical formula: C8 H14 O4
InChI: InChI=1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey: YWCIQVCLMJYZBD-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)(C)[C@@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0CC(C)(C)[C@@H](CC(=O)O)C(=O)O
ACDLabs 12.01O=C(O)C(CC(=O)O)C(C)(C)C
OpenEye OEToolkits 1.7.0CC(C)(C)C(CC(=O)O)C(=O)O
CACTVS 3.370CC(C)(C)[CH](CC(O)=O)C(O)=O
Name:(2R)-2-tert-butylbutanedioic acid
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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