Compound Identification
SMILES
CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\NC(\C(C)=C4/NC2C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(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=PLNAGHMQXOKQJQ-XPRQZSRWSA-N
Formula
C61H90N13O14P
Mass
1260.442
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 Delta amino acids and derivatives Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Fatty amides Benzenoids N-substituted imidazoles Pyrrolines Pyrrolidines Heteroaromatic compounds Oxolanes Ketimines Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkylamines Enamines Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - 1-ribofuranosylbenzimidazole - Pentose phosphate - Delta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Pyrroline - Pyrrolidine - Heteroaromatic compound - Imidazole - Azole - Oxolane - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ketimine - Oxacycle - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Enamine - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Amine - Imine - Organonitrogen compound - 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