Basic information
- CAS
1976-85-8- Standard SMILES
O=C(O)CCc1c2[nH]c(c1CC(=O)O)Cc1[nH]c(c(CC(=O)O)c1CCC(=O)O)Cc1[nH]c(c(CC(=O)O)c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C2- InChIKey
HUHWZXWWOFSFKF-UHFFFAOYSA-N- Molecular formula
- C40H44N4O16
- Average molar mass
- 836.8 g/mol
- Monoisotopic mass
- 836.27523133
Overview
Uroporphyrinogen III is a uroporphyrinogen. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a uroporphyrinogen III(8-).
Names & identifiers
- Preferred name
- Uroporphyrinogen III
- IUPAC
- 3-[7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid
- English name
- Uroporphyrinogen III
- Molecular formula
- C40H44N4O16
- Molecular weight
- 836.79
Names & synonyms
Uroporphyrinogen III1976-85-8uroporphyrinogen-III3-[7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acidCHEBI:15437DTXSID401734443-(7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl)propanoic acid3-(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 acid3-[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 acidRefChem:193323DTXCID30959353-(9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-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
Show more names
5,10,15,20,22,24-Hexahydrouroporphyrin III2,7,12,18-Tetrakis(2-oxo-2-hydroxyethyl)-3,8,13,17-tetrakis(3-oxo-3-hydroxypropyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphyrin
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 362 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 20
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,630
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 1163.6 · 1163.6±60.0 °C(Predicted)
- Density
- 1.575 · 1.575±0.06 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysAcute Intermittent Porphyria
Suppliers3 total
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: Uroporphyrinogen III is a uroporphyrinogen. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a uroporphyrinogen III(8-).
Related reactions
0 records
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Compound notes
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