Structure Database (LMSD)

Common Name
3R-hydroxymyristic acid methyl ester
Systematic Name
Methyl 3R-hydroxytetradecanoate
Synonyms
  • (R)-methyl 3-hydroxymyristate
  • 3-OH MAME
LM ID
LMFA01050567
Formula
C15H30O3
Exact Mass
Calculate m/z
258.219495
Sum Composition
FA 15:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cupriavidus taiwanensis (#164546)
Betaproteobacteria (#28216)
A Unique Combination of Two Different Quorum Sensing Systems in the β-Rhizobium Cupriavidus taiwanensis.,
J Nat Prod, 2020
Pubmed ID: 32484353

String Representations

InChiKey (Click to copy)
UOZZAMWODZQSOA-CQSZACIVSA-N
InChi (Click to copy)
InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h14,16H,3-13H2,1-2H3/t14-/m1/s1
SMILES (Click to copy)
CCCCCCCCCCC[C@@H](O)CC(=O)OC

Other Databases

PubChem CID
9834945

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 291.79
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.12
Molar Refractivity 75.00

Admin

Created at
3rd Jun 2020
Updated at
3rd Jun 2020