Compound Identification
SMILES
[Co].ON=O.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)O[C@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=KEROFBODIZTYMP-GJOLGESISA-M
Formula
C62H90CoN14O16P
Mass
1377.392
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 Pyrrolines Pyrrolidines Heteroaromatic compounds Oxolanes Ketimines Secondary alcohols Primary carboxylic acid amides Secondary carboxylic acid amides Organic O-nitroso compounds Organic nitrites Organic transition metal salts Oxacyclic compounds Azacyclic compounds Enamines Dialkylamines Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organic anions
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 amide - Benzenoid - Fatty acyl - Oxolane - Heteroaromatic compound - Pyrrolidine - Pyrroline - Azole - Imidazole - Carboxamide group - Organic o-nitroso compound - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Organic nitrite - Primary carboxylic acid amide - Oxacycle - Azacycle - Organic nitroso compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic transition metal salt - Organic nitrogen compound - Primary alcohol - Alcohol - Amine - Organic oxygen compound - Imine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - 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