Compound Identification
SMILES
C[C@H](CNC(=O)CC[C@@H]1[C@@H](CC(N)=O)C2N=C1\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](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=RVCLEYCCFQYXDH-YYNWCHSSSA-N
Formula
C60H86N13O14P
Mass
1244.399
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 Delta amino acids and derivatives Glycosylamines Monosaccharide phosphates Benzimidazoles Phosphoethanolamines Dialkyl phosphates Benzenoids Fatty amides N-substituted imidazoles Pyrrolines Oxolanes Pyrrolidines Heteroaromatic compounds Ketimines Secondary alcohols Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Enamines Dialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cobalamin - 1-ribofuranosylbenzimidazole - Pentose phosphate - Delta amino acid or derivatives - 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 - Pyrrolidine - Azole - Pyrroline - Oxolane - Imidazole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketimine - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Imine - Organonitrogen compound - Amine - 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