Structure Database (LMSD)
Common Name
FAHFA 8:0/3O(FA 14:0)
Systematic Name
3-octanoyloxy-tetradecanoic acid
Synonyms
LM ID
LMFA07090145
Formula
Exact Mass
Calculate m/z
370.308311
Sum Composition
Abbrev Chains
FAHFA 8:0/14:0;O
Status
Curated
3D model of FAHFA 8:0/3O(FA 14:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pseudomonas aeruginosa
(#287)
Gammaproteobacteria
(#1236)
Double bond localization in unsaturated rhamnolipid precursors 3-(3-hydroxyalkanoyloxy)alkanoic acids by liquid chromatography-mass spectrometry applying online Paternò-Büchi reaction.,
Anal Bioanal Chem, 2020
Anal Bioanal Chem, 2020
Pubmed ID:
32627084
String Representations
InChiKey (Click to copy)
HYSAWPWQMOQSDC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H42O4/c1-3-5-7-9-10-11-12-14-15-17-20(19-21(23)24)26-22(25)18-16-13-8-6-4-2/h20H,3-19H2,1-2H3,(H,23,24)
SMILES (Click to copy)
C(C(O)=O)C(OC(CCCCCCC)=O)CCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
419.04
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.94
Molar Refractivity
107.86
Admin
Created at
27th Jul 2020
Updated at
18th Feb 2025