Compound Identification
SMILES
[Co++].[N-]=[N+]=[N-].CC(CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\N\C(=C(C)/C4=N[C@]2(C)[C@@H](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)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=JRZCUOAYTYSUOJ-BDMDPQEUSA-M
Formula
C61H87CoN16O14P
Mass
1358.372
Taxonomic Classification
Taxonomy Tree
-
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
-
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 alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Ketimines Oxacyclic compounds Dialkylamines Enamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic cobalt salts Organic zwitterions Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
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 - Oxacycle - Organic 1,3-dipolar compound - Organic transition metal salt - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic cobalt salt - Organic salt - Organic nitrogen compound - Imine - Primary alcohol - Hydrocarbon derivative - Alcohol - Amine - Organic zwitterion - Organonitrogen compound - 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