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BioLiP

PDB CCD ID: 28H
Number of entries in BioLiP: 0
Chemical formula: C7 H14 O3
InChI: InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKey: ICRIJRMABYUYBG-PHDIDXHHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)C(C(C)C(=O)O)O
OpenEye OEToolkits 1.7.6C[C@H]([C@@H](C(C)C)O)C(=O)O
CACTVS 3.385CC(C)[C@@H](O)[C@@H](C)C(O)=O
ACDLabs 12.01O=C(O)C(C)C(O)C(C)C
CACTVS 3.385CC(C)[CH](O)[CH](C)C(O)=O
Name:(2R,3R)-3-hydroxy-2,4-dimethylpentanoic 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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