Ligand
Ligand Name:   2-oxoadipic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1185 PubChem:   71
Synonym(s):  
  •   2-oxohexanedioic acid
  • 2-oxoadipate
  • alpha-ketoadipic acid
  • 3184-35-8
  • oxoadipic acid
  • 2-oxo-hexanedioic acid
  • 2-ketoadipate
  • 2-ketoadipic acid
  • alpha-oxoadipic acid
  • hexanedioic acid, 2-oxo-
  • oxoadipate
  • 2-keto-adipate
  • unii-bb72fkl1m2
  • 2-oxohexanedionic acid
  • bb72fkl1m2
  • alpha-ketoadipate
  • 2-oxohexanedioate
  • a-oxoadipic acid
  • a-ketoadipic acid
  • a-ketoadipate
  • a-oxoadipate
  • alpha-ketodipate
  • alpha-oxoadipate
  • 2-oxo-hexanedioate
  • oog
  • alpha-keto-adipic acid
  • .alpha.-ketoadipic acid
  • 2-oxohexanedioic acid #
  • schembl27768
  • gtpl4657
  • hexanedioic acid,2-oxo-
  • chebi:15753
  • fgsbnbbhozhubo-uhfffaoysa-
  • dtxsid20185702
  • zinc1532613
  • lmfa01170121
  • akos006230506
  • 2-oxoadipic acid, >=95.0% (hplc)
  • as-57416
  • ds-016470
  • hy-113227
  • cs-0059355
  • hexanedioic acid, 2-oxo- (7ci,8ci,9ci)
  • c00322
  • q2823207
show 44 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)CCCC(=O)C(O)=O
Standard InChI:   InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
Molecular Formula:   C6H8O5 Mol. Weight:   160.03717 logP:   -0.105
HBD:   2 HBA:   3
#Rotatable Bonds:   5 TPSA:   91.67

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Probable 5-dehydro-4-deoxyglucarate dehydratase Q8UB77 (KDGD_AGRFC) Agrobacterium fabrum (strain C58 / ATCC 33970) (Agrobacterium tumefaciens (strain C58)) 4UR8 OOG
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SHOW
Probable 5-dehydro-4-deoxyglucarate dehydratase Q8UB77 (KDGD_AGRFC) Agrobacterium fabrum (strain C58 / ATCC 33970) (Agrobacterium tumefaciens (strain C58)) 5HWM OOG
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SHOW