IUPAC name
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
SMILES
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Compound class
Dietary Supplements; Micronutrients; Supplements;
Therapeutic area
For nutritional supplementation and for treating dietary shortage or imbalance.
Common name
Alpha-Linolenic Acid
IUPAC name
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
SMILES
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
INCHI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
FORMULA
C18H30O2
Common name
Alpha-Linolenic Acid
IUPAC name
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
Molecular weight
278.430
clogP
5.589
clogS
-3.956
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
37.3
Number of Rings
0
Rotatable Bond
13
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF00076 | penta-1,4-diene |
|
C=CCC=C | 0.0014 |
| FDBF00077 | (Z)-pent-2-ene |
|
C(C)C=CC | 0.0065 |
| FDBF00078 | pent-1-ene |
|
C(C=C)CC | 0.0041 |
| FDBF00079 | (4Z)-hexa-1,4-diene |
|
CC=CCC=C | 0.0014 |
| FDBF00083 | (2Z,5Z)-hepta-2,5-diene |
|
C(C=CC)C=CC | 0.0014 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
21 ,
3
