Compound Identification
SMILES
O.[Co].C[C@@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-]\C1=C(C)/C1=N/C(=C\C3=N\C(=C(C)/C4=N[C@]2(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=ITFLMCXLENHUAD-QBOHGLHMSA-L
Formula
C62H90CoN13O15P
Mass
1347.386
Taxonomic Classification
Taxonomy Tree
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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
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 alcohols Secondary carboxylic acid amides Ketimines Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbene-type 1,3-dipolar compounds Organic transition metal salts Carbonyl compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organic anions
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 - Fatty acyl - N-substituted imidazole - Benzenoid - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Fatty amide - Azole - Heteroaromatic compound - Imidazole - Oxolane - Pyrroline - Pyrrolidine - Primary carboxylic acid amide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Ketimine - Carboxylic acid derivative - Carbene-type 1,3-dipolar compound - Oxacycle - Azacycle - Organic transition metal salt - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Imine - Primary alcohol - Organooxygen compound - Carbonyl group - Organonitrogen compound - Organic anion - 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