Compound Identification
SMILES
[O--].[Co].CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\NC(\C(C)=C4/NC2C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(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=ITJOSTICEKZREJ-JDEGDCJQSA-N
Formula
C61H90CoN13O15P
Mass
1335.375
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 Delta amino acids and derivatives Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Fatty amides N-substituted imidazoles Benzenoids Pyrrolidines Oxolanes Heteroaromatic compounds Pyrrolines Secondary carboxylic acid amides Primary carboxylic acid amides Ketimines Secondary alcohols Azacyclic compounds Enamines Dialkylamines Organic transition metal salts Oxacyclic compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Delta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Benzenoid - Alkyl phosphate - Pyrroline - Pyrrolidine - Heteroaromatic compound - Imidazole - Azole - Oxolane - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Ketimine - Organic transition metal salt - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Azacycle - Oxacycle - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Imine - Carbonyl group - Organooxygen compound - Organic anion - 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