Compound Identification
SMILES
[Co++].F[C-](F)F.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=C(C)C(C)=C2
InChIKey
InChIKey=PQWKAPOMRQFJGE-UHFFFAOYSA-L
Formula
C63H88CoF3N13O14P
Mass
1398.377
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Benzenoids Fatty amides N-substituted imidazoles Oxolanes Pyrrolines Pyrrolidines Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Ketimines Oxacyclic compounds Organic metal halides Carbene-type 1,3-dipolar compounds Azacyclic compounds Organic cobalt salts Carbonyl compounds Organopnictogen compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Fatty amide - N-substituted imidazole - Benzenoid - Monosaccharide - Alkyl phosphate - Oxolane - Heteroaromatic compound - Azole - Imidazole - Pyrrolidine - Pyrroline - Primary carboxylic acid amide - Carboxamide group - Ketimine - Secondary alcohol - Secondary carboxylic acid amide - Organic transition metal salt - Carboxylic acid derivative - Azacycle - Organic metal halide - Carbene-type 1,3-dipolar compound - Oxacycle - Organic oxide - Imine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic cobalt salt - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic 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