RefMet Compound Details

MW structure53371 (View MW Metabolite Database details)
RefMet namePorphyrin
Systematic nameporphyrin
SMILESc1cc2/C=C\3/C=CC(=N3)/C=c\3/cc/c(=C/C4=N/C(=C\c1[nH]2)/C=C4)/[nH]3   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass310.121846 (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
FormulaC20H14N4View other entries in RefMet with this formula
InChIInChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,1
6-10-,17-11-,18-12-,19-11-,20-12-
InChIKeyRKCAIXNGYQCCAL-CEVVSZFKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPorphyrins
Sub ClassPorphyrins
Pubchem CID66868
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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