RefMet Compound Details

RefMet IDRM0136055
MW structure37593 (View MW Metabolite Database details)
RefMet nameUroporphyrinogen III   Species distribution   Sample source distribution
Systematic name3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanoic acid
SMILESC(CC(=O)O)c1c(CC(=O)O)c2Cc3c(CCC(=O)O)c(CC(=O)O)c(Cc4c(CCC(=O)O)c(CC(=O)O)c(Cc5c(CC(=O)O)c(CCC(=O)O)c(Cc1[nH]2
)[nH]5)[nH]4)[nH]3
  Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass836.275236 (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
FormulaC40H44N4O16View other entries in RefMet with this formula
InChIInChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-4
0(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(
H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKeyHUHWZXWWOFSFKF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPorphyrins
Sub ClassPorphyrins
Pubchem CID1179
ChEBI ID15437
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Uroporphyrinogen III

Rxn IDKEGG ReactionEnzyme
R03165 Hydroxymethylbilane <=> Uroporphyrinogen III + H2OHydroxymethylbilane hydro-lyase(cyclizing)
R03197 Uroporphyrinogen III <=> Coproporphyrinogen III + 4 CO2Uroporphyrinogen-III carboxy-lyase

Table of KEGG human pathways containing Uroporphyrinogen III

Pathway IDHuman Pathway# of reactions
hsa00860 Porphyrin and chlorophyll metabolism 2
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