Compound Identification
SMILES
O.[OH-].[Co++].CC(CNC(=O)CC[C@]1(C)C(CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\N\C(=C(C)/C4=NC2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=KUHFCPNROQFOHN-ZHZOHWOGSA-L
Formula
C62H92CoN13O16P
Mass
1365.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Tetrapyrroles and derivatives
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Subclass
Corrinoids
- Level 5 Cobalamin derivatives
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Subclass
Corrinoids
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Class
Tetrapyrroles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrapyrroles and derivatives
Subclass
Corrinoids
Intermediate Tree Nodes
Not available
Direct Parent
Cobalamin derivatives
Alternative Parents
Metallotetrapyrroles Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Benzenoids Fatty amides N-substituted imidazoles Oxolanes Pyrrolines Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Ketimines Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Enamines Dialkylamines Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic cobalt salts Organic oxides Organic oxoanionic compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Fatty amide - Phosphoric acid ester - Monosaccharide - Benzenoid - N-substituted imidazole - Alkyl phosphate - Organic phosphoric acid derivative - Oxolane - Pyrroline - Pyrrolidine - Heteroaromatic compound - Imidazole - Azole - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Organic transition metal salt - Primary alcohol - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic zwitterion - Organic hydroxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic cobalt salt - Organic salt - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.
External Descriptors
Not available