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 |
|---|---|---|---|---|
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00062 | pentanoic acid |
|
CCCCC(=O)O | 0.0079 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00074 | but-1-ene |
|
C(C)C=C | 0.0100 |
| FDBF00075 | (Z)-but-2-ene |
|
CC=CC | 0.0069 |
| FDBF00080 | (4Z)-hepta-1,4-diene |
|
C(C)C=CCC=C | 0.0014 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00084 | (2Z,5Z)-octa-2,5-diene |
|
C(C)C=CCC=CC | 0.0014 |
| FDBF00085 | hex-1-ene |
|
C(C=C)CCC | 0.0024 |
| FDBF00087 | (Z)-hept-2-ene |
|
CC=CCCCC | 0.0010 |
21 ,
3
