Compound Identification
SMILES
[Co++].[Co+3].[C-]#N.[C-]#N.Cl[Co]Cl.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1C(C)=C1N=C(C=C3NC(=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.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2=NC1=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=BCCCHEVUMJVQQK-UHFFFAOYSA-K
Formula
C126H177Cl2Co3N28O28P2
Mass
2841.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
-
Subclass
Corrinoids
- Level 5 Cobalamin derivatives
-
Subclass
Corrinoids
-
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 N-substituted imidazoles Fatty amides Benzenoids Tetrahydrofurans Pyrrolines Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Ketimines Amino acids and derivatives Transition metal cyanide salts Oxacyclic compounds Organic metal halides Enamines Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Organic cobalt salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Benzenoid - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Fatty amide - Heteroaromatic compound - Tetrahydrofuran - Pyrroline - Pyrrolidine - Imidazole - Azole - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ketimine - Carboxamide group - Amino acid or derivatives - Organic metal halide - Oxacycle - Azacycle - Transition metal cyanide salt - Organic metal salt - Organic transition metal salt - Secondary amine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic cobalt salt - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Amine - Alcohol - 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