NADP nicotinamide-adenine-dinucleotide phosphate

HCID 5886CAS 604-79-5

基本情報

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

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
Collision Cross Section · 2 件

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

関連ノート

読み込み中…