ACT

ACETATE ION

Created:1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge-1
Atom Count7
Chiral Atom Count0
Bond Count6
Aromatic Bond Count0
2D diagram of ACT
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Chemical Component Summary

NameACETATE ION
Systematic Name (OpenEye OEToolkits)ethanoate
FormulaC2 H3 O2
Molecular Weight59.044
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)C
SMILESCACTVS3.341CC([O-])=O
SMILESOpenEye OEToolkits1.5.0CC(=O)[O-]
Canonical SMILESCACTVS3.341 CC([O-])=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=O)[O-]
InChIInChI1.03 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyInChI1.03 QTBSBXVTEAMEQO-UHFFFAOYSA-M

Drug Info: DrugBank

DrugBank IDDB14511 
NameAcetate
Groups experimental
Synonyms
  • Azetat
  • Acetate anion
  • Acetate ion (1-)
  • Acetoxy ion
  • Acetate
Brand Names
  • Trinatal Rx 1
  • V-Natal
  • Virt-Bal DHA Plus
Categories
  • Acetates
  • Acids, Acyclic
  • Fatty Acids
  • Fatty Acids, Volatile
  • Lipids
CAS number71-50-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Macrophage metalloelastaseMKFLLILLLQATASGALPLNSSTSLEKNNVLFGERYLEKFYGLEINKLPV...unknowninhibitor
Calmodulin-1MADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQ...unknowninhibitor
Superoxide dismutase [Cu-Zn]MATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHE...unknowninhibitor
4-aminobutyrate aminotransferase, mitochondrialMASMLLAQRLACSFQHSYRLLVPGSRHISQAAAKVDVEFDYDGPLMKTEV...unknowninhibitor
Angiotensin-converting enzymeMGAASGRRGPGLLLPLPLLLLLPPQPALALDPGLQPGNFSADEAGAQLFA...unknowninhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 175
ChEBI CHEBI:30089
CCDC/CSD AHESEO, AHEQOW, AHERUD, AHEQUC, AHERAJ, AHERIR, AGAZIT, AHESAK, ACEQOQ, ACETAC09, ACETAC07, ANAGUS, ANULUR, BASXOJ, AVEQEY, ACETAC02, AHABUI, BACQOL, AWIKOH, AQUYIW, AKUZIR, AHEXAP, ANIJAK, ACETAC01, ACNSPT, ACEQUW, APIVIF, ACETAC03, AVAKEO, ASEDAG, APOVAF, APOVIN, APOYOW, AKEBEA
COD 7229205