Compound Identification
SMILES
C.[Co+].[H]\C1=C2\N=C(\C(\C)=C3/N=C([C@]([H])(CC(O)=N)[C@@]3(C)CCC(O)=NC[C@@]([H])(C)OP(O)(=O)O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(N4C=NC5=C4C=C(C)C(C)=C5)[C@]3([H])O)[C@]3(C)N=C(\C(C)=C4/N=C1[C@@]([H])(CCC(O)=N)[C@]4(C)CC(O)=N)[C@@]([H])(CCC(O)=N)[C@]3(C)CC(O)=N)[C@@]([H])(CCC(O)=N)C2(C)C
InChIKey
InChIKey=VFCHZLMACOHKDO-BYLSPCLQSA-N
Formula
C63H92CoN13O14P
Mass
1345.412
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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 Diterpenoids Macrolactams Glycosylamines Benzimidazoles Phosphoethanolamines Dialkyl phosphates N-substituted imidazoles N-acyl amines Benzenoids Tetrahydrofurans Pyrrolines Heteroaromatic compounds Azomethines Secondary alcohols Ketimines Oxacyclic compounds Formamidines Carboxylic acid amides Carboximidic acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Organic cobalt salts Hydrocarbon derivatives Saturated hydrocarbons Organic cations
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - Diterpenoid - 1-ribofuranosylbenzimidazole - Macrolactam - N-glycosyl compound - Glycosyl compound - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Benzenoid - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - N-acyl-amine - Fatty amide - Heteroaromatic compound - Tetrahydrofuran - Pyrroline - Azomethine - Azole - Secondary alcohol - Ketimine - Carboxamide group - Formamidine - Oxacycle - Azacycle - Organic transition metal salt - Carboximidamide - Carboxylic acid derivative - Carboximidic acid - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic cobalt salt - Organic salt - Organooxygen compound - Organonitrogen compound - Imine - Alcohol - Saturated hydrocarbon - Organic cation - Hydrocarbon - 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