Entry |
|
Name |
Suberic acid;
Cork acid;
1,8-Octanedioic acid;
Octanedioic acid;
1,6-Hexanedicarboxylic acid
|
Formula |
C8H14O4
|
Exact mass |
174.0892
|
Mol weight |
174.1944
|
Structure |
|
Brite |
Compounds with biological roles [BR:br08001]
Organic acids
Carboxylic acids
Dicarboxylic acids
C08278 Suberate
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0117 Dicarboxylic acids
C08278 Octanedioic acid
|
Other DBs |
|
KCF data |
ATOM 12
1 C6a C 19.5522 -16.2404
2 C1b C 20.7700 -16.9396
3 O6a O 18.3403 -16.9396
4 O6a O 19.5522 -14.8419
5 C1b C 21.9820 -16.2404
6 C1b C 23.1940 -16.9396
7 C1b C 24.4060 -16.2404
8 C1b C 25.6180 -16.9396
9 C1b C 26.8300 -16.2404
10 C6a C 28.0478 -16.9396
11 O6a O 29.2597 -16.2404
12 O6a O 28.0478 -18.3381
BOND 11
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 10 12 2
|