Structure Database (LMSD)
Common Name
FAHFA 10:0/3O(FA 16:1(9Z)
Systematic Name
(9Z)-3-decanoyloxy-hexadecenoic acid
Synonyms
LM ID
LMFA07090136
Formula
Exact Mass
Calculate m/z
424.35526
Sum Composition
Abbrev Chains
FAHFA 10:0/16:1;O
Status
Active
3D model of FAHFA 10:0/3O(FA 16:1(9Z)
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)
SNXMQJMUKYRDQM-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C26H48O4/c1-3-5-7-9-11-12-13-14-16-17-19-21-24(23-25(27)28)30-26(29)22-20-18-15-10-8-6-4-2/h12-13,24H,3-11,14-23H2,1-2H3,(H,27,28)/b13-12-
SMILES (Click to copy)
C(C(O)=O)C(OC(CCCCCCCCC)=O)CCCCC/C=C\CCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
23
Van der Waals Molecular Volume
485.60
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
8.28
Molar Refractivity
126.24
Admin
Created at
27th Jul 2020
Updated at
14th Jun 2023