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BioLiP

PDB CCD ID: MEV
Number of entries in BioLiP: 16
Chemical formula: C6 H11 O4
InChI: InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
InChIKey: KJTLQQUUPVSXIM-ZCFIWIBFSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CCO)(CC(=O)[O-])O
CACTVS 3.341C[C@@](O)(CCO)CC([O-])=O
ACDLabs 10.04O=C([O-])CC(O)(C)CCO
OpenEye OEToolkits 1.5.0C[C@@](CCO)(CC(=O)[O-])O
CACTVS 3.341C[C](O)(CCO)CC([O-])=O
Name:(R)-MEVALONATE
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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