기본 정보
- CAS
4229-56-5- 표준 SMILES
NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=CC1- InChIKey
XQHMUSRSLNRVGA-TURQNECASA-N- 분자식
- C11H17N2O8P
- 평균 분자량
- 336.23 g/mol
- 단동위원소 질량
- 336.0722525
개요
NMNH is a nicotinamide mononucleotide that is obtained by addition of hydride to position 4 on the pyridine ring of NMN+. It has a role as a metabolite. It is functionally related to a NMN(+). It is a conjugate acid of a NMNH(2-).
이름 및 식별자
- 우선 이름
- Nmnh
- IUPAC
- [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- 현지명
- 1,4-디히드로니코틴아미드모노뉴클레오티드
- 영어명
- 1,4-Dihydronicotinamide mononucleotide
- 분자식
- C11H17N2O8P
- 분자량
- 336.23
이름 및 동의어
NMNHCHEBI:74452RefChem:10924841-((2R,3R,4S,5R)-3,4-dihydroxy-5-((phosphonooxy)methyl)oxolan-2-yl)-1,4-dihydropyridine-3-carboximidic acid4229-56-51-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyridine-3-carboxamide((2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1(4H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate1,4-Dihydronicotinamide mononucleotide[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphateReduced nicotinamide nucleotideCHEMBL2058993SCHEMBL23956523
이름 더 보기
1,4-디히드로니코틴아미드모노뉴클레오티드3-Pyridinecarboxamide, 1,4-dihydro-1-(5-O-phosphono-β-D-ribofuranosyl)-
C11H17N2O8PDTXSID301375500C21113F77728Q27144681[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
물성
구조 계산 물성
- XLogP
- -3.2
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 544
물리화학적 성질
- 끓는 점
- 724 · 724.0±70.0 °C(Predicted)
- 밀도
- 1.728 · 1.728±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.86 · 1.86±0.10(Predicted)
- InChI
- InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1
- InChIKey
- XQHMUSRSLNRVGA-TURQNECASA-N
- SMILES
- C1N([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C=CCC=1C(N)=O
화학 및 산업
공급사2 곳
德州佳泰化工科技有限公司17653471880 · [email protected]
深圳希吉亚生物技术有限公司0755-0755-27208059 18898723287 · [email protected]
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