Compound Identification
SMILES
[Co].N#[O+].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)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=XZACTWDKMNHDNY-WZHZPDAFSA-L
Formula
C62H88CoN14O15P
Mass
1359.377
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 Oxolanes Pyrrolines Pyrrolidines Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Ketimines Oxacyclic compounds Organic transition metal salts Organic nitrosonium compounds Carbene-type 1,3-dipolar compounds Azacyclic compounds Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Benzenoid - Pyrroline - Imidazole - Heteroaromatic compound - Azole - Oxolane - Pyrrolidine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Secondary alcohol - Ketimine - Azacycle - Carboxylic acid derivative - Organic transition metal salt - Carbene-type 1,3-dipolar compound - Oxacycle - Organic-nitrosonium - Imine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Primary alcohol - Organic cation - 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