CHEBI:3312 - calcium dichloride

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ChEBI Name calcium dichloride
ChEBI ID CHEBI:3312
Stars This entity has been manually annotated by the ChEBI Team.
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Formula CaCl2
Net Charge 0
Average Mass 110.98340
Monoisotopic Mass 109.90030
InChI InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
InChIKey UXVMQQNJUSDDNG-UHFFFAOYSA-L
SMILES [Cl-].[Cl-].[Ca++]
Roles Classification
Chemical Role(s): NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
Biological Role(s): nutrient
A nutrient is a food component that an organism uses to survive and grow.
(via mineral nutrient )
Application(s): fertilizer
A fertilizer is any substance that is added to soil or water to assist the growth of plants.
NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
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ChEBI Ontology
Outgoing calcium dichloride (CHEBI:3312) has role fertilizer (CHEBI:33287)
calcium dichloride (CHEBI:3312) has role NMR chemical shift reference compound (CHEBI:228364)
calcium dichloride (CHEBI:3312) is a calcium salt (CHEBI:35156)
calcium dichloride (CHEBI:3312) is a inorganic calcium salt (CHEBI:190295)
calcium dichloride (CHEBI:3312) is a inorganic chloride (CHEBI:36093)
Incoming calcium chloride dihydrate (CHEBI:86158) has part calcium dichloride (CHEBI:3312)
calcium chloride hexahydrate (CHEBI:91243) has part calcium dichloride (CHEBI:3312)
IUPAC Names
calcium chloride
calcium dichloride
Synonyms Sources
[CaCl2] MolBase
CaCl2 IUPAC
Calcium chloride anhydrous KEGG COMPOUND
calcium chloride anhydrous ChemIDplus
Manual Xrefs Databases
109 PPDB
1869 MolBase
C08130 KEGG COMPOUND
Calcium_Chloride Wikipedia
CPD0-1589 MetaCyc
DB01164 DrugBank
FDB015404 FooDB
HMDB0303526 HMDB
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Registry Numbers Types Sources
10043-52-4 CAS Registry Number NIST Chemistry WebBook
10043-52-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11057678 PubMed citation Europe PMC
13333715 PubMed citation Europe PMC
32018153 PubMed citation Europe PMC
32441097 PubMed citation Europe PMC
34618995 PubMed citation Europe PMC
34981086 PubMed citation Europe PMC
35159430 PubMed citation Europe PMC
35159592 PubMed citation Europe PMC
35200459 PubMed citation Europe PMC
35260323 PubMed citation Europe PMC
IND607339542 Agricola citation Europe PMC
Last Modified
06 June 2024