Compound Identification
SMILES
[Co+3].[CH2-]C1O[C@@H]([C@@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N.CC(CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[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=OAJLVMGLJZXSGX-VCABRDNDSA-L
Formula
C72H100CoN18O17P
Mass
1579.608
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Tetrapyrroles and derivatives
-
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 5'-deoxyribonucleosides Glycosylamines 6-aminopurines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Aminopyrimidines and derivatives Fatty amides Benzenoids N-substituted imidazoles Imidolactams Tetrahydrofurans Pyrrolidines Heteroaromatic compounds Pyrrolines Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Ketimines Carbene-type 1,3-dipolar compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic cobalt salts Organic oxides Organic zwitterions Organopnictogen compounds Primary amines Primary alcohols
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Benzimidazole - Imidazopyrimidine - Purine - Phosphoethanolamine - Aminopyrimidine - Dialkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Fatty amide - Phosphoric acid ester - Imidolactam - Pyrimidine - Alkyl phosphate - Fatty acyl - Benzenoid - Pyrroline - Pyrrolidine - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Azole - Ketimine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic transition metal salt - Carbene-type 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organic salt - Imine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic nitrogen compound - Primary amine - Amine - Organic zwitterion - Organic cobalt salt - 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