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BioLiP

PDB CCD ID: UEI
Number of entries in BioLiP: 1
Chemical formula: C6 H12 O3
InChI: InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
InChIKey: RILPIWOPNGRASR-CRCLSJGQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[CH](C)[CH](O)C(O)=O
CACTVS 3.385CC[C@H](C)[C@@H](O)C(O)=O
OpenEye OEToolkits 2.0.7CCC(C)C(C(=O)O)O
OpenEye OEToolkits 2.0.7CC[C@H](C)[C@H](C(=O)O)O
Name:(2R,3S)-3-methyl-2-oxidanyl-pentanoic acid;
(2R,3S)-2-hydroxy-3-methylpentanoic acid
ZINC: ZINC000005925366
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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