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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:59199 - calcium acetate monohydrate
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ChEBI Name
calcium acetate monohydrate
ChEBI ID
CHEBI:59199
Definition
The monohydrate of calcium acetate.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C4H8CaO5
Net Charge
0
Average Mass
176.18100
Monoisotopic Mass
175.99976
InChI
InChI=1S/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
InChIKey
XQKKWWCELHKGKB-UHFFFAOYSA-L
SMILES
O.[Ca++].CC([O-])=O.CC([O-])=O
Roles Classification
Chemical Role
(s):
chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
calcium acetate monohydrate (
CHEBI:59199
)
has part
calcium acetate (
CHEBI:3310
)
calcium acetate monohydrate (
CHEBI:59199
)
has role
chelator (
CHEBI:38161
)
calcium acetate monohydrate (
CHEBI:59199
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
calcium acetate—water (1/1)
Synonyms
Sources
Ca(OAc)
2
·H
2
O
ChEBI
calcium acetate
KEGG DRUG
calcium acetate hydrate (1:2:1)
IUPAC
calcium diacetate monohydrate
ChEBI
Manual Xrefs
Databases
D02257
KEGG DRUG
DB00258
DrugBank
View more database links
Registry Numbers
Types
Sources
44753
Gmelin Registry Number
Gmelin
5743-26-0
CAS Registry Number
ChemIDplus
Last Modified
27 April 2010