CAS号:85-32-5-鸟苷酸 - Guanosine-5'-monophosphate-科华智慧

1. 主信息

英文名:	Guanosine-5'-monophosphate
中文名:	鸟苷酸
CAS编号:	85-32-5
化学分子式：	C₁₀H₁₄N₅O₈P
化学分子量：	363.22 g/mol
SMILES：	C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
来源：	-
结构类型：	核苷/核苷酸类
其它名称或标识：	5' Guanylic Acid 5'-GMP 5'-Guanylic Acid 5'-Monophosphate, Guanosine Acid, 5'-Guanylic

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	25mg	HPLC≥98%	240	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 38 40 0 1 0 0 0 0 0999 V2000 4.7641 1.4776 0.1085 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -0.7992 1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6285 -2.7614 -1.3179 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3452 -3.7365 0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 0.3314 0.6521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9286 2.1901 -1.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8864 0.6263 -0.6856 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 3.0186 -0.4267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 2.4032 1.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8696 0.0732 0.1733 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 2.2038 -0.2633 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -0.8926 0.3748 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7544 0.7867 0.0324 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3617 -1.4415 0.4905 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 -1.8742 -0.8611 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6480 -2.5818 -0.4482 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0153 -1.1472 0.4222 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3037 -1.5544 0.4658 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2091 -0.5837 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2318 0.1377 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 1.3409 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 1.4539 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 1.8693 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3455 -0.5404 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -1.1538 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 -2.9010 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -1.7762 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 -2.0193 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6432 -0.0205 -1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.1291 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 -3.2575 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 -4.1344 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 1.5749 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7529 0.9704 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3345 -1.1607 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1684 -2.4168 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 2.9759 -1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6737 1.0925 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 19 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 23 2 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 20 1 0 0 0 0 12 24 2 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 34 1 0 0 0 0 14 24 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

4.2 InChl

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

4.3 InChlKey

RQFCJASXJCIDSX-UUOKFMHZSA-N

4.4 Canonical SMILES

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N

4.5 lsomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.72146 1.982 0 0
M  V30 2 N 4.39059 2.72515 0 0
M  V30 3 C 5.30414 2.31841 0 0
M  V30 4 C 5.19961 1.32389 0 0
M  V30 5 N 4.22146 1.11598 0 0
M  V30 6 C 3.81473 0.202434 0 0
M  V30 7 C 4.31473 -0.663592 0 0
M  V30 8 C 3.6456 -1.40674 0 0
M  V30 9 C 2.73205 -1 0 0
M  V30 10 O 2.83658 -0.0054781 0 0
M  V30 11 C 1.86603 -1.5 0 0
M  V30 12 O 1 -1 0 0
M  V30 13 P 1 -1.38778e-17 0 0
M  V30 14 O 2 1.11022e-16 0 0
M  V30 15 O 1 1 0 0
M  V30 16 O 0 -0 0 0
M  V30 17 O 3.85351 -2.38488 0 0
M  V30 18 O 5.30925 -0.76812 0 0
M  V30 19 N 6.00863 0.736105 0 0
M  V30 20 C 6.92217 1.14284 0 0
M  V30 21 N 7.0267 2.13736 0 0
M  V30 22 C 6.21769 2.72515 0 0
M  V30 23 O 6.32221 3.71967 0 0
M  V30 24 N 7.73119 0.555057 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 5
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 1 3 22
M  V30 5 2 3 4
M  V30 6 1 4 5
M  V30 7 1 4 19
M  V30 8 1 5 6
M  V30 9 1 6 10
M  V30 10 1 6 7
M  V30 11 1 7 8
M  V30 12 1 7 18
M  V30 13 1 8 9
M  V30 14 1 8 17
M  V30 15 1 9 10
M  V30 16 1 9 11
M  V30 17 1 11 12
M  V30 18 1 12 13
M  V30 19 2 13 14
M  V30 20 1 13 15
M  V30 21 1 13 16
M  V30 22 2 19 20
M  V30 23 1 20 21
M  V30 24 1 20 24
M  V30 25 1 21 22
M  V30 26 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
半夏	tuber of Pinellia	Rhizoma Pinelliae

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型