Compound Identification
SMILES
[Co].[CH2-]CCCCN1C=NC2=C1N=CN=C2N.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N-]\C1=C(C)/[C@H]1[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)[N+]1=C[N-]C2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=BKRZOJRWANPDQJ-QMJKFMLISA-N
Formula
C72H106CoN18O14P
Mass
1537.662
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 6-aminopurines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Aminopyrimidines and derivatives Fatty amides Benzenoids N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds Pyrrolidines Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Organic transition metal salts Carbene-type 1,3-dipolar compounds Azacyclic compounds Oxacyclic compounds Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols Organic cations
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - Imidazopyrimidine - Purine - Phosphoethanolamine - Aminopyrimidine - Dialkyl phosphate - Fatty amide - Fatty acyl - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Phosphoric acid ester - Benzenoid - Pyrimidine - Alkyl phosphate - Pyrrolidine - Heteroaromatic compound - Imidazole - Azole - Oxolane - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Primary carboxylic acid amide - Carbene-type 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic transition metal salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Primary amine - Organonitrogen compound - Carbonyl group - Organic salt - Organic oxygen compound - Organooxygen compound - Alcohol - Amine - 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