RefMet Compound Details

MW structure37035 (View MW Metabolite Database details)
RefMet nameBiotin
Systematic name5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
SMILESC(CCC(=O)O)C[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass244.088165 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H16N2O3SView other entries in RefMet with this formula
InChIKeyYBJHBAHKTGYVGT-ZKWXMUAHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassHeterocyclic compounds
Sub ClassBiotins
Pubchem CID171548
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Biotin

Rxn IDKEGG ReactionEnzyme
R01074 ATP + Biotin <=> Diphosphate + Biotinyl-5'-AMPbiotin:CoA ligase (AMP-forming)

Table of KEGG human pathways containing Biotin

Pathway IDHuman Pathway# of reactions
hsa00780 Biotin metabolism 2