Met008161: Uroporphyrin IV
Metabolite Information
Name
Uroporphyrin IV
IUPAC Name
3-[7,13,18-tris(2-carboxyethyl)-3,8,12,17-tetrakis(carboxymethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid
Molecular Formula
C40H38N4O16
Molecular Weight
830.7
Exact Mass
830.2282811
SMILES
C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)C(=C4CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)N2)CC(=O)O)CCC(=O)O
InChIKey
IYAFQUNUGVTKHE-UHFFFAOYSA-N
InChI
InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)23(11-39(57)58)31(43-27)16-32-24(12-40(59)60)20(4-8-36(51)52)28(44-32)15-30-22(10-38(55)56)18(2-6-34(47)48)26(42-30)13-25(17)41-29/h13-16,41-42H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Tetrapyrroles and derivatives
Subclass:
Porphyrins
Crops containing this metabolite
citrus
parsley
parsley
Metabolite Spectrum Accession Label