The Biofilms Structural Database
|
|
The Biofilms Structural Database |
octanoyl-rac-glycerol |
|
|---|---|
4Y13 |
|
Code
480 | |
|
Name |
(2S)-2,3-dihydroxypropyl octanoate |
|
Molecular Weight |
218.29 |
|
Isomeric SMILES |
CCCCCCCC(=O)OC[C@@H](O)CO |
|
Formula |
C11H22O4 |
|
Identifiers |
[(2S)-2,3-bis(oxidanyl)propyl] octanoate |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3/t10-/m0/s1 |
|
Atom Count |
37 |
|
InChIKey |
GHBFNMLVSPCDGN-JTQLQIEISA-N |
|
PDB codes |
4Y13 |
|
Type |
Non-polymer |
|
Chiral Atom Count |
1 |
|
Chiral Atoms |
C22 |
|
Bond Count |
36 |
|
Aromatic Bond Count |
0 |
|
Leaving Atoms |
n/a |