Compound Identification
SMILES
[Co++].[C]#N.C[C@H](CN=C(O)CC[C@]1(C)[C@@H](CC(O)=N)[C@H]2N=C1C(C)=C1N=C(C=C3N=C(C(C)=C4N[C@]2(C)[C@@](C)(CC(O)=N)[C@@H]4CCC(O)=N)[C@@](C)(CC(O)=N)[C@@H]3CCC([O-])=N)C(C)(C)[C@@H]1CCC([O-])=N)OP(O)(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)[n+]1c[nH]c2cc(C)c(C)cc12
InChIKey
InChIKey=RMRCNWBMXRMIRW-WZHZPDAFSA-M
Formula
C63H89CoN14O14P
Mass
1356.395
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Metallotetrapyrroles Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Benzenoids Fatty amides N-substituted imidazoles Pyrrolines Heteroaromatic compounds Pyrrolidines Tetrahydrofurans Secondary carboxylic acid amides Secondary alcohols Ketimines Primary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Carbene-type 1,3-dipolar compounds Organic cobalt salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Organic cations
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Fatty amide - Fatty acyl - Pyrroline - Pyrrolidine - Imidazole - Azole - Tetrahydrofuran - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Ketimine - Oxacycle - Azacycle - Organic transition metal salt - Carbene-type 1,3-dipolar compound - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Imine - Primary alcohol - Organic salt - Organic cobalt salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen 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