Met004439: Sorbitan laurate
Metabolite Information
Name
Sorbitan laurate
IUPAC Name
[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] dodecanoate
Molecular Formula
C18H34O6
Molecular Weight
346.5
Exact Mass
346.2355388
SMILES
CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O
InChIKey
LWZFANDGMFTDAV-UHFFFAOYSA-N
InChI
InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Fatty Acyls
Subclass:
Fatty acid esters
Crops containing this metabolite
adzuki_bean
avocado
eggplant
kidney_bean
mung_bean
avocado
eggplant
kidney_bean
mung_bean
Metabolite Spectrum Accession Label