Compound Identification
SMILES
[Co++].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=GEGIDSAUUHDRAT-LDZSWNKVSA-N
Formula
C62H90CoN13O14P
Mass
1331.385
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 Fatty amides Benzenoids N-substituted imidazoles Pyrrolidines Oxolanes Heteroaromatic compounds Pyrrolines Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Ketimines Amino acids and derivatives Azacyclic compounds Enamines Oxacyclic compounds Dialkylamines Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic cobalt salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Monosaccharide - Fatty acyl - Benzenoid - Alkyl phosphate - Fatty amide - Phosphoric acid ester - Heteroaromatic compound - Azole - Oxolane - Pyrroline - Imidazole - Pyrrolidine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Primary carboxylic acid amide - Ketimine - Azacycle - Oxacycle - Organic transition metal salt - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Secondary amine - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic cobalt salt - Organic nitrogen compound - Amine - Primary alcohol - Imine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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