NADP nicotinamide-adenine-dinucleotide phosphate
基本情報
- CAS
604-79-5- 標準SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1- InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-O- 分子式
- C21H29N7O17P3+
- 平均分子量
- 744.4 g/mol
- 単同位体質量
- 744.08272878
概要
NADP(+) is a NAD(P)(+) and a NADP. It has a role as a cofactor and a fundamental metabolite. It is a conjugate acid of a NADP zwitterion and a NADP(3-).
名称と識別子
- 優先名称
- NADP nicotinamide-adenine-dinucleotide phosphate
- IUPAC
- [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
名称と別名
Codehydrase IInadp nicotinamide-adenine-dinucleotide phosphate[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate12751-04-1141442-04-8nicotinamide adenine dinucleotide phosphate (NADP)112429-07-9122985-21-1144906-21-8604-79-5b-NADPBRN 3885115
名称をさらに表示
FENOPON TC-42TPNSpectrum_001530Spectrum2_000023Spectrum4_000862Spectrum5_001481bmse000263KBioGR_001523
データベース識別子
- CAS
604-79-5- PubChem CID
- 5886
- DTXSID
DTXSID401102609- ChEMBL
CHEMBL5079525- ChEBI
CHEBI:18009- Nikkaji
- J1.880.131K、J947.605I
物性
構造計算による物性
- XLogP
- -7
- 極性表面積
- 365 Ų
- 水素結合供与体数
- 9
- 水素結合受容体数
- 21
- 回転可能結合数
- 13
- 重原子数
- 48
- 形式電荷
- 1
- 複雑度
- 1,300
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section
228.27 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
240.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
関連反応
131 件
化合物ノート
読み込み中…