Compound Identification
SMILES
CC(CNC(=O)CCC1(C)C(CC(N)=O)C2N=C1C(C)=C1N=C(C=C3NC(=C(C)C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP(O)(=O)OC1C(CO)OC(C1O)N1C=NC2=C1C=CC(O)=C2
InChIKey
InChIKey=BZMQKLQRMRPLDX-UHFFFAOYSA-N
Formula
C60H86N13O15P
Mass
1260.398
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
Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines 1-hydroxy-2-unsubstituted benzenoids Dialkyl phosphates N-substituted imidazoles Fatty amides Pyrrolidines Tetrahydrofurans Heteroaromatic compounds Pyrrolines Primary carboxylic acid amides Amino acids and derivatives Secondary alcohols Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Dialkylamines Enamines Carbonyl compounds Organic oxides Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - 1-hydroxy-2-unsubstituted benzenoid - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Benzenoid - Pyrroline - Pyrrolidine - Tetrahydrofuran - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Primary alcohol - Organopnictogen compound - Organic oxide - Organooxygen compound - Imine - Organonitrogen compound - Hydrocarbon derivative - Amine - 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