CAS号:24880-45-3-二十二碳五烯酸 - Docosapentaenoic acid-科华智慧

1. 主信息

英文名:	Docosapentaenoic acid
中文名:	二十二碳五烯酸
CAS编号:	24880-45-3
化学分子式：	C₂₂H₃₄O₂
化学分子量：	330.5 g/mol
SMILES：	CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	(all-Z)-7, 10, 13, 16, 19-docosapentaenoic acid 4,7,10,13,16-Docosapentaenoic acid 7,10,13,16,19-docosapentaenoic acid 7,10,13,16,19-docosapentaenoic acid, (7Z,10Z,13Z,16Z,19Z)- 7,10,13,16,19-docosapentaenoic acid, (all-Z)-isomer

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	20mg	GC≥98%	1200	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 58 57 0 0 0 0 0 0 0999 V2000 2.7242 3.2495 -0.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 3.1741 -2.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1538 2.3758 1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3926 1.7272 1.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 3.6891 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 0.4561 2.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 4.3836 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2674 -0.1830 3.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 -1.1300 2.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 3.5450 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 -1.6664 1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 -1.4214 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6409 -0.7089 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4356 0.0107 -1.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -0.4298 -2.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3381 -2.1917 -2.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2063 -1.3649 -3.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -1.2980 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 -2.0072 -2.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 -1.6087 -1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 -2.5118 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -2.1478 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9593 -2.8621 1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -1.0793 2.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 1.6673 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5857 2.5675 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 2.4433 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 1.5045 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 4.3756 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 3.4901 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -0.2297 2.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 0.7174 3.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 5.3386 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4742 4.6134 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5989 0.1595 4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8598 -1.5358 3.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 -1.3262 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 -2.7542 1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6822 -1.8804 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5473 -0.6278 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 1.0838 -1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 -0.0751 -0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1944 2.7017 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 0.0605 -3.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5777 -3.2449 -2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 -2.0454 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 -1.5641 -4.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3701 -0.5000 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 -0.8602 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -2.2306 -3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0661 -1.5218 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9407 -3.1343 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4303 -1.6990 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 -2.9077 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -3.7551 1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4559 -1.5037 3.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 -0.2702 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5264 -0.6481 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 43 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 7 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid

4.2 InChl

InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-

4.3 InChlKey

YUFFSWGQGVEMMI-JLNKQSITSA-N

4.4 Canonical SMILES

CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O

4.5 lsomeric SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O

4.6 SDF文件

补充中

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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
北五味子	Schisandrae Chinensis Fructus	-
海人草	Simple Digenea Frond	Digenea simplex
石莼	Lettuce Ulva Frond Equivalent plant: Ulva lactuca	Ulva lactuca
五味子	Chinese Magnoliavine Equivalent plant: Schisandra	Schisandra chinensis

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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