Compound Identification
SMILES
[Co].FC1=C(F)C(F)=C(S)C(F)=C1F.CC(CNC(=O)CC[C@]1(C)C(CC(N)=O)C2N=C1\C(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=XXYSFQDJUVYTCQ-QPQIGISYSA-M
Formula
C68H90CoF5N13O14PS
Mass
1530.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Thiophenols Phosphoethanolamines Dialkyl phosphates Fluorobenzenes Aryl fluorides Fatty amides N-substituted imidazoles Oxolanes Pyrrolines Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Ketimines Primary carboxylic acid amides Azacyclic compounds Enamines Dialkylamines Oxacyclic compounds Organic transition metal salts Thiols Organic oxides Carbonyl compounds Hydrocarbon derivatives Organofluorides Primary alcohols Organic anions
Molecular Framework
Not available
Substituents
Cobalamin - Metallotetrapyrrole skeleton - 1-ribofuranosylbenzimidazole - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Monosaccharide phosphate - Benzimidazole - Phosphoethanolamine - Thiophenol - Halobenzene - Fluorobenzene - Dialkyl phosphate - Benzenoid - Phosphoric acid ester - Fatty acyl - Organic phosphoric acid derivative - Aryl fluoride - N-substituted imidazole - Monosaccharide - Monocyclic benzene moiety - Alkyl phosphate - Aryl halide - Fatty amide - Azole - Heteroaromatic compound - Imidazole - Pyrroline - Pyrrolidine - Oxolane - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketimine - Primary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organic transition metal salt - Secondary aliphatic amine - Enamine - Arylthiol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Organofluoride - Organohalogen compound - 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