Compound Identification
SMILES
CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1C(C)=C1N=C(C=C3N\C(=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=NEZOEVMZBDYNHZ-PCSMNQRKSA-N
Formula
C62H90N13O14P
Mass
1272.453
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
Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Fatty amides N-substituted imidazoles Benzenoids Pyrrolines Heteroaromatic compounds Pyrrolidines Oxolanes Ketimines Secondary carboxylic acid amides Primary carboxylic acid amides Secondary alcohols Amino acids and derivatives Dialkylamines Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Benzenoid - Fatty amide - Alkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Azole - Imidazole - Pyrroline - Pyrrolidine - Oxolane - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Secondary alcohol - Primary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Imine - Hydrocarbon derivative - Carbonyl group - Amine - 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