기본 정보
- 표준 SMILES
CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
OVRNDRQMDRJTHS-ZTVVOAFPSA-N- 분자식
- C8H15NO6
- 평균 분자량
- 221.21 g/mol
개요
N-acetyl-D-mannosamine is an N-acetylmannosamine having D-configuration. It has a role as a bacterial metabolite. It is a N-acyl-D-mannosamine, a N-acetyl-D-hexosamine and a N-acetylmannosamine.
이름 및 식별자
- 우선 이름
- N-Acetyl-D-Mannosamine
- IUPAC
- N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
이름 및 동의어
N-acetyl-D-mannosamineN-acetylmannosamineManNAcn-acetyl-mannosamineCHEBI:631532-Acetamido-2-deoxy-D-mannopyranose2-Acetamido-2-Deoxy-Mannose2-Deoxy-2-Acetamido-Mannose2-Deoxy-2-Acetamido-D-Mannose2-Acetamido-2-Deoxy-Mannopyranose2-Deoxy-2-Acetamido-Mannopyranose2-Acetamido-2-Deoxy-Mannopyranoside
이름 더 보기
2-Deoxy-2-Acetamido-Mannopyranoside2-Deoxy-2-Acetamido-D-Mannopyranose2-Acetamido-2-Deoxy-D-Mannopyranoside2-Deoxy-2-Acetamido-D-MannopyranosideCHEMBL1231391N-(2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl)acetamideN-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamideSNFG:ManNAc
데이터베이스 식별자
- CAS
3615-17-6- PubChem CID
- 439281
- ChEMBL
CHEMBL1231391、CHEMBL509437- ChEBI
CHEBI:63153- EC Number
- 222-790-8
- Nikkaji
- J1.087.203K
물성
구조 계산 물성
- XLogP
- -1.7
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 235
실험 및 물리화학적 성질
Collision Cross Section
154.76 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
150.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
149.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
150 Ų [M+Na]+
안전 및 규제
유해성 정보
Regulatory InformationD-Mannose, 2-(acetylamino)-2-deoxy-: Does not have an individual approval but may be used under an appropriate group standard
관련 반응
30건
연결된 노트
불러오는 중…