Compound Identification
SMILES
CCOC(=O)CN(CCCNC(=O)CC[C@@H]1C2=CC3=NC([C@@H](CCC(N)=O)C3(C)C)=C(C)C3=N[C@H]([C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@H](C)OP(O)(=O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]3O)N3C=NC4=C3C=C(C)C(C)=C4)[C@]3(C)N=C([C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)\C(C)=C(/N2)[C@@]1(C)CC(N)=O)CC1=CC=CC=N1
InChIKey
InChIKey=KXDLOSGRKJKPGM-LQNIBJFVSA-N
Formula
C75H108N15O16P
Mass
1506.752
Taxonomic Classification
Taxonomy Tree
-
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
Benzimidazole ribonucleosides and ribonucleotides Pentose phosphates Alpha amino acid esters Glycosylamines Monosaccharide phosphates Benzimidazoles 2-pyridylmethylamines Phosphoethanolamines Aralkylamines Dialkyl phosphates N-substituted imidazoles Fatty amides Benzenoids Heteroaromatic compounds Pyrrolines Pyrrolidines Oxolanes Trialkylamines Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Carboxylic acid esters Ketimines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Enamines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - 1-ribofuranosylbenzimidazole - Pentose phosphate - Alpha-amino acid ester - Glycosyl compound - N-glycosyl compound - Alpha-amino acid or derivatives - Monosaccharide phosphate - Pentose monosaccharide - Benzimidazole - 2-pyridylmethylamine - Phosphoethanolamine - Aralkylamine - Dialkyl phosphate - Fatty amide - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Pyridine - Alkyl phosphate - Benzenoid - Azole - Pyrroline - Pyrrolidine - Heteroaromatic compound - Imidazole - Oxolane - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketimine - Amino acid or derivatives - Organic 1,3-dipolar compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Enamine - Secondary aliphatic amine - Carboxylic acid derivative - Primary alcohol - Organic oxide - Hydrocarbon derivative - Alcohol - Imine - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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