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BioLiP

PDB CCD ID: 2HG
Number of entries in BioLiP: 14
Chemical formula: C5 H8 O5
InChI: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKey: HWXBTNAVRSUOJR-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[CH](CCC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CCC(O)C(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@H](C(=O)O)O
CACTVS 3.370O[C@H](CCC(O)=O)C(O)=O
Name:(2R)-2-hydroxypentanedioic acid
ChEMBL: CHEMBL1614745
ZINC: ZINC000000402968
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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