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BioLiP

PDB CCD ID: 2RH
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O3
InChI: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKey: LVRFTAZAXQPQHI-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)C[C@H](C(=O)O)O
CACTVS 3.370CC(C)C[C@@H](O)C(O)=O
CACTVS 3.370CC(C)C[CH](O)C(O)=O
OpenEye OEToolkits 1.7.0CC(C)CC(C(=O)O)O
ACDLabs 12.01O=C(O)C(O)CC(C)C
Name:(2R)-2-hydroxy-4-methylpentanoic acid;
(R)-2-hydroxyisocaproate
ZINC: ZINC000000407032
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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