CAS号:56-69-9-5-羟色胺酸 - 5-Hydroxytryptophan-科华智慧

1. 主信息

英文名:	5-Hydroxytryptophan
中文名:	5-羟色胺酸
CAS编号:	56-69-9
化学分子式：	C₁₁H₁₂N₂O₃
化学分子量：	220.22 g/mol
SMILES：	C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N
来源：	-
结构类型：	氨基酸/肽类
其它名称或标识：	5 Hydroxytryptophan 5-HTP 5-Hydroxy- Tryptophan 5-Hydroxytryptophan Hydroxytryptophan

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	20mg	HPLC≥98%	240	点击购买	2-8℃	现货	-
科华智慧	1g	特纯，99%	24	点击购买	2-8℃	现货	-
科华智慧	5g	特纯，99%	80	点击购买	2-8℃	现货	-
科华智慧	25g	特纯，99%	224	点击购买	2-8℃	现货	-
科华智慧	100g	特纯，99%	720	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 28 29 0 1 0 0 0 0 0999 V2000 2.5514 -2.7287 0.5794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 -0.7099 -1.8256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3662 -2.1310 -0.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 2.4753 -0.3915 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0362 -0.1207 0.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 1.2266 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 0.8031 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 0.4143 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 0.2604 0.0105 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6697 1.2217 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 2.4882 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9775 -0.9347 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 0.7456 -0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 -1.4247 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 -0.5958 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2335 -0.9896 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 1.6549 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6064 0.0413 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9893 1.0162 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 3.3940 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 3.2705 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 -1.5846 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 1.3903 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 -0.9914 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7141 -0.3944 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4343 0.6892 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 -3.1591 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2489 -1.5212 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 27 1 0 0 0 0 2 16 1 0 0 0 0 2 28 1 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

4.2 InChl

InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)

4.3 InChlKey

LDCYZAJDBXYCGN-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 16 17 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.68311 -0.309017 0 0
M  V30 2 C 1.81708 0.190983 0 0
M  V30 3 C 0.951057 -0.309017 0 0
M  V30 4 C 0.951057 -1.30902 0 0
M  V30 5 C 1.81708 -1.80902 0 0
M  V30 6 C 2.68311 -1.30902 0 0
M  V30 7 O 3.54913 -1.80902 0 0
M  V30 8 C 6.66134e-16 -1.61803 0 0
M  V30 9 C -0.587785 -0.809017 0 0
M  V30 10 N 0 -0 0 0
M  V30 11 C -0.309017 -2.56909 0 0
M  V30 12 C -1.28716 -2.777 0 0
M  V30 13 C -1.9563 -2.03386 0 0
M  V30 14 O -1.64728 -1.0828 0 0
M  V30 15 O -2.93444 -2.24177 0 0
M  V30 16 N -1.59618 -3.72806 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 1 3 10
M  V30 5 2 3 4
M  V30 6 1 4 5
M  V30 7 1 4 8
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 2 8 9
M  V30 11 1 8 11
M  V30 12 1 9 10
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 12 16
M  V30 16 2 13 14
M  V30 17 1 13 15
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

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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