Compound Identification
SMILES
[Co++].N#[O+].CC(CNC(=O)CC[C@]1(C)C(CC(N)=O)C2N=C1\C(C)=C1/N=C(/C=C3\N\C(=C(C)/C4=NC2(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](C[O-])O[C@@H]([C@@H]1[O-])N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=IBBLJLIBLHXZKM-QPQIGISYSA-M
Formula
C62H87CoN14O15P
Mass
1358.368
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 Benzenoids Fatty amides N-substituted imidazoles Pyrrolines Pyrrolidines Oxolanes Heteroaromatic compounds Ketimines Secondary carboxylic acid amides Primary carboxylic acid amides Oxacyclic compounds Enamines Dialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic nitrosonium compounds Hydrocarbon derivatives Alkoxides Carbonyl compounds Organic zwitterions Organic oxides Organic cobalt salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Benzenoid - Pyrroline - Pyrrolidine - Azole - Heteroaromatic compound - Oxolane - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Ketimine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Organic-nitrosonium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic transition metal salt - Oxacycle - Organic cobalt salt - Imine - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Alkoxide - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic 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