기본 정보
- 표준 SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
OVRNDRQMDRJTHS-RTRLPJTCSA-N- 분자식
- C8H15NO6
- 평균 분자량
- 221.21 g/mol
- 단동위원소 질량
- 221.0899372
개요
N-acetyl-D-glucosamine is the D isomer of N-acetylglucosamine. It has a role as a bacterial metabolite. It is a N-acetyl-D-hexosamine and a N-acetylglucosamine.
이름 및 식별자
- 우선 이름
- N-Acetyl-D-Glucosamine
- IUPAC
- N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
이름 및 동의어
2-acetamido-2-deoxy-D-glucopyranoseGlcNAc2-Deoxy-2-Acetamido-D-Glucopyranosen-acetyl-glucosamine2-acetamido-2-deoxy-glucose2-Deoxy-2-Acetamido-Glucose2-Acetamido-2-Deoxy-Glucopyranose2-Deoxy-2-Acetamido-Glucopyranose2-acetamido-2-deoxy-glucopyranoside2-Deoxy-2-Acetamido-Glucopyranoside2-acetamido-2-deoxy-D-glucopyranoside2-Deoxy-2-Acetamido-D-Glucopyranoside
이름 더 보기
2-Acetamido-2-Deoxy-D-Glucose2-Deoxy-2-Acetamido-D-GlucoseD-GlcNAcGlcNAc (SNFG)N-Acetyl-D-GlucosamineSNFG:GlcNAcN-AcetylchitosamineN-Acetyl-D-glucosamine-Agarose
데이터베이스 식별자
- CAS
7512-17-6- PubChem CID
- 439174
- DTXSID
DTXSID901045903- ChEMBL
CHEMBL240524- ChEBI
CHEBI:506227- Nikkaji
- J35.752I
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
LogP-2.1
Solubility
167 mg/mL
>33.2 [ug/mL] (The mean of the results at pH 7.4)
Melting Point210 °C
Physical DescriptionSolid
Collision Cross Section
147.3 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
160.36 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
화학 및 산업
약리 정보
Tissue LocationsIntestine
Cellular LocationsCytoplasm
Metabolite PathwaysAmino Sugar Metabolism
관련 반응
38건
연결된 노트
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