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BioLiP

PDB CCD ID: 23B
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O4
InChI: InChI=1S/C5H10O4/c1-3(6)5(2,9)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-,5+/m1/s1
InChIKey: AOWPAWLEXIYETE-WUJLRWPWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C(C)(C(=O)O)O)O
OpenEye OEToolkits 1.7.6C[C@H]([C@@](C)(C(=O)O)O)O
CACTVS 3.370C[C@@H](O)[C@](C)(O)C(O)=O
ACDLabs 12.01O=C(O)C(O)(C)C(O)C
CACTVS 3.370C[CH](O)[C](C)(O)C(O)=O
Name:(2S,3R)-2,3-dihydroxy-2-methylbutanoic acid
ZINC: ZINC000001731110
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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