기본 정보
- CAS
87084-52-4- 표준 SMILES
NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O- InChIKey
VPRLICVDSGMIKO-SZWOQXJISA-N- 분자식
- C11H22N2O8
- 평균 분자량
- 310.3 g/mol
- 단동위원소 질량
- 310.13761566
개요
Mannopine is a hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens. It has a role as a plant metabolite. It is a L-glutamine derivative, a dicarboxylic acid monoamide, a secondary amino compound, a hexitol derivative, an amino acid opine and a non-proteinogenic L-alpha-amino acid. It is functionally related to a D-mannitol.
이름 및 식별자
- 우선 이름
- Mannopine
- IUPAC
- (2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
- 현지명
- 마노핀
- 영어명
- MANNOPINE
- 분자식
- C11H22N2O8
- 분자량
- 310.3
이름 및 동의어
mannopine87084-52-4NJE67R3WPCCHEBI:80662DTXSID60236121D-Mannitol, 1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-, (S)-(2S)-5-amino-5-oxo-2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid(2S)-5-amino-5-oxo-2-(((2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)pentanoic acid(2S)-5-Amino-5-oxo-2-{[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}pentanoic acidRefChem:155678DTXCID60158612(2S)-5-amino-5-oxo-2-(((2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)azaniumyl)pentanoate
이름 더 보기
마노핀Nα-(1-D-Mannityl)-L-glutamineD-Mannitol,1-((4-amino-1-carboxy-4-oxobutyl)amino)-1-deoxy-,(S)
SCHEMBL23388718N(alpha)-(1-D-mannityl)-L-glutamineN2-(1-Deoxy-D-mannitol-1-yl)-L-glutamineL-Glutamine, N2-(1-deoxy-D-mannitol-1-yl)-N(2)-(1'-deoxy-D-mannitol-1'-yl)-L-glutamineQ271497041-{[(1S)-4-amino-1-carboxy-4-oxobutyl]amino}-1-deoxy-D-mannitolMO0
데이터베이스 식별자
- CAS
87084-52-4- PubChem CID
- 121864
- DTXSID
DTXSID60236121- ChEBI
CHEBI:80662- UNII
- NJE67R3WPC
- Nikkaji
- J690.468H
물성
구조 계산 물성
- XLogP
- -6.8
- 극성 표면적
- 194 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 340
물리화학적 성질
- 끓는 점
- 797.9 · 797.9±60.0 °C(Predicted)
- 밀도
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 2.19 · 2.19±0.10(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사1 곳
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
추가 설명
정의ChEBI: A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyl denous plants by Agrobacterium tumefaciens.
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