Compound: coproporphyrinogen III
SMILES: O=C(O)CCc1c2[nH]c(c1C)Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(C2)c(c5C)CCC(=O)O)c(c4CCC(=O)O)C)c(c3CCC(=O)O)C
InChIKey: NIUVHXTXUXOFEB-UHFFFAOYSA-N
Synonyms: coproporphyrinogen III, 2624-63-7, coproporphyrinogen-III, DTXSID40180875, CHEBI:15439, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid, 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid, 3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoate, 3-(8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl)propanoic acid, 3-(9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetramethyl-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, 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetramethyl-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, RefChem:127928, DTXCID80103366, 3-(10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo(16.2.1.13,6.18,11.113,16)tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl)propanoic acid, coproporphyrinogen, 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-, 3,3',3'',3'''-(3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl)tetrapropanoic acid, NIUVHXTXUXOFEB-UHFFFAOYSA-N, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-2,7,12,18-porphinetetrapropionic acid, SCHEMBL188419, CHEMBL1231891, Coproporphyrin III, hexahydro deriv., DB04461, NS00069777, C03263, Q2468481, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-2,7,12,18-Porphinetetrapropionate, 2,7,12,18-Porphinetetrapropionic acid, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-, 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-Porphine-2,7,12,18-tetrapropanoate
Theoretical properties:
molecular_formula: C36H44N4O8
molecular_weight: 660.8 g/mol
exact_mass: 660.31591437 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 12
heavy_atom_count: 48
topological_polar_surface_area: 212 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Coproporphyrinogen III is a coproporphyrinogen. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a coproporphyrinogen III(4-).
chembl: COPROPORPHYRINOGEN-III is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Coproporphyrinogen-III oxidase, mitochondrial (abbreviated as CPOX) is an enzyme that in humans is encoded by the CPOX gene. A genetic defect in the enzyme results in a reduced production of heme in animals. The medical condition associated with this enzyme defect is called hereditary coproporphyria.
CPOX, the sixth enzyme of the heme biosynthetic pathway, converts coproporphyrinogen III to protoporphyrinogen IX through two sequential steps of oxidative decarboxylation. The activity of the CPOX enzyme, located in the mitochondrial membrane, is measured in lymphocytes.