Compound Identification
SMILES
[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)[N+]1=C[N-]C2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=MGUJRMFIQDWXPF-RPMGISIYSA-N
Formula
C62H92CoN13O14P
Mass
1333.404
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
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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 Pyrrolidines Heteroaromatic compounds Oxolanes Secondary alcohols Primary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organic transition metal salts Carbene-type 1,3-dipolar compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Primary alcohols Organonitrogen compounds 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 - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Benzenoid - Pyrrolidine - Imidazole - Heteroaromatic compound - Oxolane - Azole - Primary carboxylic acid amide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Oxacycle - Carbene-type 1,3-dipolar compound - Organic transition metal salt - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Primary alcohol - Carbonyl group - 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