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BioLiP

PDB CCD ID: QVW
Number of entries in BioLiP: 1
Chemical formula: C8 H12 O5
InChI: InChI=1S/C8H12O5/c1-2-3-5(4-6(9)10)7(11)8(12)13/h5H,2-4H2,1H3,(H,9,10)(H,12,13)/t5-/m0/s1
InChIKey: RICKOBMVUQRAMO-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC[C@@H](CC(O)=O)C(=O)C(O)=O
OpenEye OEToolkits 2.0.7CCC[C@@H](CC(=O)O)C(=O)C(=O)O
OpenEye OEToolkits 2.0.7CCCC(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385CCC[CH](CC(O)=O)C(=O)C(O)=O
Name:3-propyl-2-oxoglutarate;
(3~{S})-2-oxidanylidene-3-propyl-pentanedioic 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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