Ligand
Ligand Name:   3-oxopentanedioic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB316 PubChem:   68328
Synonym(s):  
  •   1,3-acetonedicarboxylic acid
  • 542-05-2
  • 3-oxoglutaric acid
  • acetonedicarboxylic acid
  • pentanedioic acid, 3-oxo-
  • acetone-1,3-dicarboxylic acid
  • 3-ketoglutaric acid
  • unii-ih7p7wo21p
  • mfcd00002711
  • 1,3-acetonedicarboxylic acid; 3-ketoglutaric acid
  • ih7p7wo21p
  • 1,3-acetonedicarboxylic acid, 96%
  • acetondicarbonsaure
  • 6jn
  • einecs 208-797-9
  • pubchem15703
  • 3-oxo-pentanedioic acid
  • glutaric acid, 3-oxo-
  • ec 208-797-9
  • schembl28522
  • 1.3-acetonedicarboxylic acid
  • 1,3-acetone dicarboxylic acid
  • acetone 1,3-dicarboxylic acid
  • 1,3-diacetonedicarboxylic acid
  • i(2)-ketoglutarsa currencyure
  • 1,3-diacetonedicarboxylic acid;
  • dtxsid2060252
  • chebi:88950
  • zinc388410
  • ebd17943
  • bbl027398
  • s6048
  • sbb065807
  • stl382157
  • akos005146511
  • ac-3531
  • cs-w007752
  • fs-4496
  • hy-w007752
  • mcule-7760127170
  • ak-48328
  • ab0006773
  • ft-0621806
  • k0006
  • st50823999
  • 1,3-acetonedicarboxylic acid, technical grade
  • en300-20020
  • q2823239
  • f2191-0194
  • 72b67ddf-f659-43aa-9a12-e57411fde057
show 49 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)CC(=O)CC(O)=O
Standard InChI:   InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
Molecular Formula:   C5H6O5 Mol. Weight:   146.02153 logP:   -0.4951
HBD:   2 HBA:   3
#Rotatable Bonds:   4 TPSA:   91.67

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
A. acutangulus PKS2 None (None) Anisodus acutangulus 6J1M 6JN
-
-
SHOW