기본 정보
- CAS
35418-52-1- 표준 SMILES
CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O- InChIKey
YILWWVUXGMGOAM-UHFFFAOYSA-N- 분자식
- C16H28N4O9
- 평균 분자량
- 420.41 g/mol
- 단동위원소 질량
- 420.18562848
개요
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.
이름 및 식별자
- 우선 이름
- Schizokinen
- IUPAC
- 4-[3-[acetyl(hydroxy)amino]propylamino]-2-[2-[3-[acetyl(hydroxy)amino]propylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
- 현지명
- 스키조키넨
- 영어명
- Schizokinen
- 분자식
- C16H28N4O9
- 분자량
- 420.41
이름 및 동의어
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
이름 더 보기
스키조키넨3-[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-
물성
구조 계산 물성
- XLogP
- -3.8
- 극성 표면적
- 197 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 569
물리화학적 성질
- 밀도
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.41 · 3.41±0.15(Predicted)
화학 및 산업
공급사2 곳
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]
추가 설명
정의ChEBI: 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.
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