기본 정보
- 표준 SMILES
NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1- InChIKey
BOPGDPNILDQYTO-UHFFFAOYSA-N- 분자식
- C21H29N7O14P2
- 평균 분자량
- 665.4 g/mol
- 단동위원소 질량
- 665.12477187
개요
NADH is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
이름 및 식별자
- 우선 이름
- Dihydronicotinamide formycin dinucleotide
- IUPAC
- [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- 현지명
- 디히드로니코틴아미드포마이신디뉴클레오티드
- 영어명
- dihydronicotinamide formycin dinucleotide
- 분자식
- C21H29N7O14P2
- 분자량
- 665.45
이름 및 동의어
Dihydronicotinamide formycin dinucleotideNFDH74927-11-0[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate((5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) (5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphateRefChem:133894Dihydronicotinamide-adenine dinucleotideCERAPP_26258SCHEMBL12253377SCHEMBL29740660DTXSID20861594dihydronicotinamide adenine dinu-cleotide
이름 더 보기
디히드로니코틴아미드포마이신디뉴클레오티드D-Ribitol, 1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(trihydrogen diphosphate), P'→5'-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide, (1S)- (9CI)
NS00041065[5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(3-carbamoylpyridin-1(4H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphateD-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, 5-(trihydrogen diphosphate), 5-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide, (S)-
데이터베이스 식별자
- CAS
74927-11-0- PubChem CID
- 928
- DTXSID
DTXSID20861594
물성
구조 계산 물성
- XLogP
- -5.7
- 극성 표면적
- 318 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,230
물리화학적 성질
- 끓는 점
- 1101.3 · 1101.3±75.0 °C(Predicted)
- 밀도
- 1.868 · 1.868±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.13 · 1.13±0.50(Predicted)
관련 반응
5건
연결된 노트
불러오는 중…