The Biofilms Structural Database
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
Leaving Atoms
n/a