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BioLiP

PDB CCD ID: A1AFY
Number of entries in BioLiP: 1
Chemical formula: C6 H10 O4
InChI: InChI=1S/C6H10O4/c1-6(10,2-3-7)4-5(8)9/h3,10H,2,4H2,1H3,(H,8,9)/t6-/m1/s1
InChIKey: CWCYSIIDJAVQSK-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C](O)(CC=O)CC(O)=O
ACDLabs 12.01CC(O)(CC=O)CC(O)=O
OpenEye OEToolkits 2.0.7CC(CC=O)(CC(=O)O)O
OpenEye OEToolkits 2.0.7C[C@@](CC=O)(CC(=O)O)O
CACTVS 3.385C[C@@](O)(CC=O)CC(O)=O
Name:(R)-mevaldehyde;
(3R)-3-hydroxy-3-methyl-5-oxopentanoic 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)(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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