Basic information
- CAS
35418-52-1- Standard SMILES
CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O- InChIKey
YILWWVUXGMGOAM-UHFFFAOYSA-N- Molecular formula
- C16H28N4O9
- Average molar mass
- 420.41 g/mol
- Monoisotopic mass
- 420.18562848
Overview
Schizokinen is a hydroxamic acid resulting from the formal condensation of the primary amino group of N-(3-aminopropyl)-N-hydroxyacetamide (2 mol eq.) with the carboxy groups at positions 1 and 3 of citric acid. It is a siderophore produced by Bacillus megaterium and Anabaena species. It has a role as a siderophore and a bacterial metabolite. It is a hydroxamic acid and a 2-hydroxy carboxylic acid. It is functionally related to a citric acid.
Names & identifiers
- Preferred name
- Schizokinen
- IUPAC
- 4-[3-[acetyl(hydroxy)amino]propylamino]-2-[2-[3-[acetyl(hydroxy)amino]propylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
- English name
- Schizokinen
- Molecular formula
- C16H28N4O9
- Molecular weight
- 420.41
Names & synonyms
Schizokinen35418-52-12-hydroxy-4-((3-(N-hydroxyacetamido)propyl)amino)-2-(2-((3-(N-hydroxyacetamido)propyl)amino)-2-oxoethyl)-4-oxobutanoic acid4-[3-[acetyl(hydroxy)amino]propylamino]-2-[2-[3-[acetyl(hydroxy)amino]propylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acidCHEBI:84582DTXSID701889002-Hydroxy-4-{[3-(N-hydroxyacetamido)propyl]amino}-2-(2-{[3-(N-hydroxyacetamido)propyl]amino}-2-oxoethyl)-4-oxobutanoic acid4-(3-(acetyl(hydroxy)amino)propylamino)-2-(2-(3-(acetyl(hydroxy)amino)propylamino)-2-oxoethyl)-2-hydroxy-4-oxobutanoic acidRefChem:181841DTXCID90111391starbld0041766CHEMBL322079
Show more names
3-[3-(Acetylhydroxyamino)propylcarbamoyl]-2-[3-(acetylhydroxyamino)propylcarbamoylmethyl]-2-hydroxypropionic acid4-[[3-(Acetylhydroxyamino)propyl]amino]-2-[2-[[3-(acetylhydroxyamino)propyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acidButanoic acid, 4-[[3-(acetylhydroxyamino)propyl]amino]-2-[2-[[3-(acetylhydroxyamino)propyl]amino]-2-oxoethyl]-2-hydroxy-4-oxo-
orb1695254SCHEMBL12470069AKOS040753977C23098T34575Q271578854-({3-[acetyl(hydroxy)amino]propyl}amino)-2-[2-({3-[acetyl(hydroxy)amino]propyl}amino)-2-oxoethyl]-2-hydroxy-4-oxobutanoic acidButanoic acid, 4-((3-(acetylhydroxyamino)propyl)amino)-2-(2-((3-(acetylhydroxyamino)propyl)amino)-2-oxoethyl)-2-hydroxy-4-oxo-
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.15(Predicted)
Chemistry & industry
Suppliers2 total
BOC Sciences+1-631-485-4226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: A hydroxamic acid resulting from the formal condensation of the primary amino group of N-(3-aminopropyl)-N-hydroxyacetamide (2 mol eq.) with the carboxy groups at positions 1 and 3 of citric acid. It is a siderophore p oduced by Bacillus megaterium and Anabaena species.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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