Compound Identification
SMILES
[Co++].[O-]S([O-])=O.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N\C(=C(C)/C4=N[C@]2(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)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=DFMJGMSCDBEUOQ-IQAFVLEWSA-K
Formula
C62H89CoN13O17PS
Mass
1410.44
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
-
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 N-substituted imidazoles Fatty amides Pyrrolidines Oxolanes Pyrrolines Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Ketimines Secondary alcohols Oxacyclic compounds Dialkylamines Enamines Azacyclic compounds Carbonyl compounds Primary alcohols Organic oxides Organic cobalt salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Monosaccharide phosphate - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Alkyl phosphate - Fatty acyl - Benzenoid - Fatty amide - Oxolane - Heteroaromatic compound - Pyrrolidine - Pyrroline - Azole - Imidazole - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Organic transition metal salt - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Enamine - Organic oxide - Primary alcohol - Hydrocarbon derivative - Amine - Alcohol - Organic salt - Imine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cobalt salt - Organonitrogen compound - Organooxygen compound - Organic cation - 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