基本情報
- CAS
6253-56-1- 標準SMILES
O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1- InChIKey
CAEFEWVYEZABLA-UUOKFMHZSA-N- 分子式
- C10H15N4O15P3
- 平均分子量
- 524.17 g/mol
- 単同位体質量
- 523.97467678
概要
XTP is the xanthosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a purine ribonucleoside 5'-triphosphate and a xanthosine 5'-phosphate. It is a conjugate acid of a XTP(3-).
名称と識別子
- 優先名称
- Xanthosine 5'-triphosphate
- IUPAC
- [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- 英語名
- Xanthosine-5'-triphosphate
- 分子式
- C10H15N4O15P3
- 分子量
- 524.17
名称と別名
Xanthosine triphosphate6253-56-1xanthosine 5'-triphosphateAM28CL5N94DTXSID30978122[[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateXanthosine 5'-(tetrahydrogen triphosphate)(((2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphateRefChem:195181DTXCID201766831xanthosine-5'-triphosphateXTP
名称をさらに表示
XTP (aqueous solution)XTP - Triethylammonium salt(aqueous solution)XTP (aqueous solution), Adenylyl and guanylyl cyclase inhibitorXanthosine-5'-triphosphate triethylammonium salt - 100 mM aqueous solution
Xanthosine 5-triphosphate5'-XTPXanthosine 5 inverted exclamation marka-triphosphate({[({[(2R,3S,4R,5R)-5-(2,6-dihydroxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphateCZForb533127orb533263
物性
構造計算による物性
- XLogP
- -6.2
- 極性表面積
- 286 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 16
- 回転可能結合数
- 8
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 912
実験および物理化学的性質
Physical DescriptionSolid
化学と産業
薬理情報
Tissue LocationsProstate
Cellular LocationsCytoplasm
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補足説明
定義ChEBI: The xanthosine 5'-phosphate in which the 5'-phosphate is a triphosphate group.
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