Compound Identification
SMILES
[OH-].Cl.[Co+3].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=CGILFMTUCMTNCZ-VRVFKZEISA-M
Formula
C62H92ClCoN13O15P
Mass
1384.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Metallotetrapyrroles Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Benzenoids Fatty amides N-substituted imidazoles Oxolanes Pyrrolines Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Ketimines Secondary alcohols Organic metal halides Oxacyclic compounds Dialkylamines Enamines Azacyclic compounds Organic oxides Organic oxoanionic compounds Hydrocarbon derivatives Hydrochlorides Carbonyl compounds Organic cobalt salts Primary alcohols 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 - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Fatty amide - Fatty acyl - Benzenoid - Phosphoric acid ester - Alkyl phosphate - Imidazole - Heteroaromatic compound - Azole - Oxolane - Pyrrolidine - Pyrroline - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Ketimine - Secondary alcohol - Carboxylic acid derivative - Organic metal halide - Organic transition metal salt - Enamine - Azacycle - Secondary aliphatic amine - Oxacycle - Hydrocarbon derivative - Organic cobalt salt - Organic oxygen compound - Imine - Organic hydroxide - Amine - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic salt - Hydrochloride - 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