Compound Identification
SMILES
[Co].[C-]#N.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](O)[C@H](O[C@@H]1CO)N1C[N-]C2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=GJCCFICMAOTABM-ZZTVJVGCSA-N
Formula
C63H93CoN14O14P
Mass
1360.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Pentose phosphates Glycosylamines Monosaccharide phosphates Benzimidazoles Dialkylarylamines Phosphoethanolamines Dialkyl phosphates Benzenoids Fatty amides Oxolanes Pyrrolidines Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Transition metal cyanide salts Carbene-type 1,3-dipolar compounds Azacyclic compounds Cyanide salts Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Phosphoethanolamine - Dialkylarylamine - Dialkyl phosphate - Fatty acyl - Fatty amide - Benzenoid - Monosaccharide - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Oxolane - Pyrrolidine - Primary carboxylic acid amide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbene-type 1,3-dipolar compound - Oxacycle - Azacycle - Organic cyanide salt - Organic transition metal salt - Transition metal cyanide salt - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Alcohol - Amine - Organic anion - 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