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)OC1[C@H](CO)O[C@@H](C1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=DQOCFCZRZOAIBN-PYFZXISVSA-L
Formula
C62H90CoN13O15P
Mass
1347.385
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 Fatty amides N-substituted imidazoles Benzenoids Heteroaromatic compounds Pyrrolidines Tetrahydrofurans Pyrrolines Secondary alcohols Ketimines Secondary carboxylic acid amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carbene-type 1,3-dipolar compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic cobalt salts Organic oxides Organic zwitterions Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Hydroxycobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty acyl - Fatty amide - Monosaccharide - N-substituted imidazole - Benzenoid - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Imidazole - Heteroaromatic compound - Azole - Pyrrolidine - Pyrroline - Tetrahydrofuran - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Ketimine - Azacycle - Oxacycle - Carbene-type 1,3-dipolar compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic transition metal salt - Alcohol - Organonitrogen compound - Imine - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Organic cobalt salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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