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CHEBI:31339 - Calcium diiodostearate

ChEBI IDCHEBI:31339
ChEBI NameCalcium diiodostearate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C18H33I2O2.Ca
Net Charge0
Average Mass1110.614
Monoisotopic Mass1110.07659
SMILESCCCCCCC(I)CCC(I)CCCCCCCC(=O)[O-].CCCCCCC(I)CCC(I)CCCCCCCC(=O)[O-].[Ca+2]
InChIInChI=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
InChIKeyKMDFGURWVNEJQG-UHFFFAOYSA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Calcium diiodostearate (CHEBI:31339) is a long-chain fatty acid (CHEBI:15904)
Synonym  Source
Calcium diiodostearateKEGG COMPOUND
Manual XrefsDatabases
D01927KEGG DRUG
Registry NumbersSources
CAS:74988-01-5KEGG COMPOUND