Compound Identification
SMILES
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)OC1C(CO)OC(C1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=NEZOEVMZBDYNHZ-UFLIBBNTSA-N
Formula
C62H90N13O14P
Mass
1272.453
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Benzenoids Fatty amides N-substituted imidazoles Pyrrolines Heteroaromatic compounds Pyrrolidines Oxolanes Ketimines Primary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Enamines Dialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - 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 - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Benzenoid - Fatty amide - Imidazole - Oxolane - Pyrrolidine - Pyrroline - Azole - Heteroaromatic compound - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Ketimine - Carboxamide group - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Primary alcohol - Imine - Organic oxygen compound - Organooxygen compound - 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