biotinyl-5'-AMP
基本情報
- CAS
4130-20-5- 標準SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](O)[C@H]1O- InChIKey
UTQCSTJVMLODHM-RHCAYAJFSA-N- 分子式
- C20H28N7O9PS
- 平均分子量
- 573.5 g/mol
- 単同位体質量
- 573.14068367
概要
Biotinyl-5'-AMP is a purine ribonucleoside 5'-monophosphate. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a biotin and an adenosine 5'-monophosphate. It is a conjugate acid of a biotinyl-5'-AMP(1-).
名称と識別子
- 優先名称
- biotinyl-5'-AMP
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
名称と別名
Biotinyl-5'-AMPCHEBI:3110[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate5'-O-[hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphoryl]adenosine(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) 5-((3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoate5'-O-(hydroxy((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno(3,4-d)imidazol-4-yl)pentanoyl)oxy)phosphoryl)adenosineRefChem:1079879(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)((5-((4S)-2-oxo-hexahydro-1H-thieno(3,4-d)imidazolidin-4-yl)pentanoyl)oxy)phosphinic acid4130-20-5Biotinyl 5'-AMPBIOTINYL-5-AMP(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC) 5-((3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTANOIC ANHYDRIDE
名称をさらに表示
Biotinyl 5a(2)-AMPC05921SCHEMBL29419645DTXSID501316984[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 5-[(6S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoateH84598Q271059445'-O-[(R)-hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphoryl]adenosine
物性
構造計算による物性
- XLogP
- -2.4
- 極性表面積
- 259 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 14
- 回転可能結合数
- 11
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 939
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