COBALT RICINOLEATE

General Information

Mainterm	COBALT RICINOLEATE
CAS Reg.No.(or other ID)	29973-37-3
Regnum	175.300

From www.fda.gov

Computed Descriptors

2D Structure
CID	91810514
IUPAC Name	cobalt(2+);(Z,12R)-12-hydroxyoctadec-9-enoate
InChI	InChI=1S/2C18H34O3.Co/c21-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h29,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2/b212-9-;/t217-;/m11./s1
InChI Key	RFOHEXXULKZDJB-GNNYBVKZSA-L
Canonical SMILES	CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.[Co+2]
Molecular Formula	C36H66CoO6
Wikipedia	cobalt ricinoleate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	653.851
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	28
Complexity	256.0
CACTVS Substructure Key Fingerprint	A A A D c f B 8 O A A A A A A Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A C B S g g A I C C A A A A g C I A C D S C A A A A A A g A A A I C A E A A A g A E B I A A Q A A Q A A E w A A I A A O I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	121.0
Monoisotopic Mass	653.419
Exact Mass	653.419
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	43
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Long-chain fatty acids
Alternative Parents	Monocarboxylic acids and derivatives Carbonyl compounds Hydroxy fatty acids Organic cobalt salts Hydrocarbon derivatives Unsaturated fatty acids Organic oxides Organic zwitterions Carboxylic acids Secondary alcohols Carboxylic acid salts
Molecular Framework	Not available
Substituents	Long-chain fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic transition metal salt - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Organic zwitterion - Organic salt - Organic cobalt salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

From ClassyFire