3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
24 23 0 1 0 0 0 0 0999 V2000
-2.7908 -1.6235 -0.3318 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5637 0.2615 0.6609 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5026 1.7690 -0.0718 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8579 -0.3942 0.2918 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1674 0.3292 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1555 -0.2958 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4066 -0.3826 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4135 0.3533 -0.4323 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6883 0.3006 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6942 -0.3175 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2003 1.3818 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2016 0.3162 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2045 -0.2620 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1479 -1.3614 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3982 -1.4306 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3689 -0.3832 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3829 0.2891 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 1.3445 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7326 0.2970 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5674 1.8676 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3525 2.1750 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8417 -0.3724 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7014 0.1029 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6273 -2.0269 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 24 1 0 0 0 0
2 10 2 0 0 0 0
3 8 1 0 0 0 0
3 20 1 0 0 0 0
3 21 1 0 0 0 0
4 9 1 0 0 0 0
4 22 1 0 0 0 0
4 23 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
6 8 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
7 9 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
8 10 1 0 0 0 0
8 17 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
(2S)-2,6-diaminohexanoic acid
4.2 InChl
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
4.3 InChlKey
KDXKERNSBIXSRK-YFKPBYRVSA-N
4.4 Canonical SMILES
C(CCN)CC(C(=O)O)N
4.5 lsomeric SMILES
C(CCN)C[C@@H](C(=O)O)N
4.6 SDF文件
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)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
| 中文名称 |
英文名称 |
拉丁文名称 |
| 薄荷 |
Mentha, Peppermint |
herba Menthae |
| 粗叶榕 |
Hispid Fig |
Ficus simplicissima |
| 淡豆豉 |
Fermented Soybean |
Semen Sojae Praeparata |
| 阿胶 |
Donkey hide gelatin |
Colla Corii Asini |
| 核桃仁 |
English Walnut Seed |
Semen Juglandis |
| 七叶树 |
Chinese Buckeye |
Aesculus chinensis |
| 荞麦 |
Common Buckwheat |
Fagopyrum esculentum |
| 肉苁蓉 |
Desertliving Cistanche |
Herba Cistanches |
| 沙苑子 |
Flatstem Milkvetch Seed |
Semen Astragali Complati |
| 双孢蘑菇 |
Bispore Mushroom |
Agaricus bisporus |
7. 相关靶点
8. 相关疾病