CHEBI:31339 - Calcium diiodostearate

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ChEBI Name Calcium diiodostearate
ChEBI ID CHEBI:31339
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C18H33I2O2.Ca
C36H66CaI4O4
Net Charge 0
Average Mass 1110.604
Monoisotopic Mass 1110.07658
InChI InChI=1S/2C18H34I2O2.Ca/c2*1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22;/h2*16-17H,2-15H2,1H3,(H,21,22);/q;;+2/p-2
InChIKey KMDFGURWVNEJQG-UHFFFAOYSA-L
SMILES [Ca+2].C(CCCCCCCC(CCC(CCCCCC)I)I)([O-])=O.C(CCCCCCCC(CCC(CCCCCC)I)I)([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Calcium diiodostearate (CHEBI:31339) is a long-chain fatty acid (CHEBI:15904)
Synonym Source
Calcium diiodostearate KEGG COMPOUND
Manual Xref Database
D01927 KEGG DRUG
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Registry Number Type Source
74988-01-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017