ACT

ACETATE ION

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

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7,233 entries where ACT is found as a standalone ligand31 entries where ACT is covalently linked to polymer or other heterogen groups 2 entries where ACT is found in a polymer sequence

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Chemical Details
Formal Charge	-1
Atom Count	7
Chiral Atom Count	0
Bond Count	6
Aromatic Bond Count	0

2D diagram of ACT

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Chemical Component Summary
Name	ACETATE ION
Systematic Name (OpenEye OEToolkits)	ethanoate
Formula	C₂ H₃ O₂
Molecular Weight	59.044
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]C(=O)C
SMILES	CACTVS	3.341	CC([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)[O-]
Canonical SMILES	CACTVS	3.341	CC([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)[O-]
InChI	InChI	1.03	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKey	InChI	1.03	QTBSBXVTEAMEQO-UHFFFAOYSA-M

Drug Info: DrugBank

DrugBank ID	DB14511
Name	Acetate
Groups	experimental
Synonyms	Acetate ion (1-) Acetate ion Acetic acid, ion(1-) Acetic acid anion Acetate Acetate anion Azetat Acetoxy ion
Brand Names	Virt-Bal DHA Plus V-Natal Trinatal Rx 1
Categories	Acetates Acids, Acyclic Fatty Acids Fatty Acids, Volatile Lipids
CAS number	71-50-1

Related Resource References

Resource Name	Reference
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

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.