Adenosine 5'-diphosphoribose

HCID 192CAS 20762-30-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O
InChIKey: SRNWOUGRCWSEMX-UHFFFAOYSA-N
分子式: C15H23N5O14P2
平均分子量: 559.32 g/mol

概要

Adenosine diphosphate ribose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

名称と識別子

優先名称: Adenosine 5'-diphosphoribose
IUPAC: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (3,4,5-trihydroxyoxolan-2-yl)methyl hydrogen phosphate

名称と別名

AdoPPRibADP-Rib(Rib5)ppAA5'pp5Rib[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl] hydrogen phosphateAdenosine 5'-diphosphoriboseD-ribofuranos-5-yl-ADPRibose adenosine diphosphateSCHEMBL21196515[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxNS00015295Q61416

名称をさらに表示

[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

データベース識別子

CAS: 20762-30-5
PubChem CID: 192

物性

構造計算による物性

XLogP: -6.1
極性表面積: 292 Å²
水素結合供与体数: 8
水素結合受容体数: 18
回転可能結合数: 9
重原子数: 36
形式電荷: 0
複雑度: 876

実験および物理化学的性質

Physical DescriptionSolid

Collision Cross Section204.5 Å² [M+H2O-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

化学と産業

薬理情報

Tissue LocationsPlacenta

Cellular LocationsCytoplasm

Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)