Compound Identification
SMILES
[Co++].[C-]#N.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]C1=C(C)C1=NC(=CC3=NC(=C(C)C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP(O)(=O)OC1C(CO)OC(C1O)N1C=NC2=C1C=CC(O)=C2
InChIKey
InChIKey=KFGPRWBUFIZJAM-UHFFFAOYSA-M
Formula
C61H85CoN14O15P
Mass
1344.341
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
-
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 1-hydroxy-2-unsubstituted benzenoids Fatty amides N-substituted imidazoles Tetrahydrofurans Pyrrolines Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carbene-type 1,3-dipolar compounds Hydrocarbon derivatives Carbonyl compounds Organic cobalt salts Organic oxides Organic zwitterions Organopnictogen compounds Primary alcohols
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Monosaccharide phosphate - Benzimidazole - Phosphoethanolamine - 1-hydroxy-2-unsubstituted benzenoid - Dialkyl phosphate - Phosphoric acid ester - Alkyl phosphate - Fatty amide - Benzenoid - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Fatty acyl - Pyrrolidine - Imidazole - Tetrahydrofuran - Pyrroline - Azole - Heteroaromatic compound - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Carbene-type 1,3-dipolar compound - Organic 1,3-dipolar compound - Azacycle - Organic transition metal salt - Carbonyl group - Organic cobalt salt - Imine - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Alcohol - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - 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