Compound Identification
SMILES
C[C@@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2N=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(=O)NCCCCCCCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)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=JHQBGEYXTLOLLI-MDXOZMSQSA-N
Formula
C84H129N16O16PS
Mass
1682.09
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
Biotin and derivatives Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Thienoimidazolidines Phosphoethanolamines Dialkyl phosphates Imidazolidinones N-acyl amines N-substituted imidazoles Benzenoids Oxolanes Thiophenes Heteroaromatic compounds Thiolanes Pyrrolines Pyrrolidines Secondary alcohols Secondary carboxylic acid amides Ketimines Ureas Primary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkylamines Enamines Dialkylthioethers Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Biotin_derivative - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Thienoimidazolidine - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - N-substituted imidazole - N-acyl-amine - Monosaccharide - Imidazolidinone - Alkyl phosphate - Fatty amide - Benzenoid - Oxolane - Azole - Imidazolidine - Thiolane - Thiophene - Imidazole - Pyrrolidine - Pyrroline - Heteroaromatic compound - Carboxamide group - Urea - Secondary carboxylic acid amide - Ketimine - Secondary alcohol - Primary carboxylic acid amide - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Thioether - Oxacycle - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Imine - Amine - Alcohol - 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