Structure Database (LMSD)

Common Name
Methyl nonacosa-14E,18E,22E,26E-tetraenoate
Systematic Name
Methyl nonacosa-14E,18E,22E,26E-tetraenoate
Synonyms
LM ID
LMFA07011155
Formula
C30H52O2
Exact Mass
Calculate m/z
444.39673
Sum Composition
SFE 30:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Amaranthus spinosus (#124765)
Magnoliopsida (#3398)
A new ester of fatty acid from a methanol extract of the whole plant of Amaranthus spinosus and its α-glucosidase inhibitory activity.,
Pharm Biol, 2015
Pubmed ID: 25339411

String Representations

InChiKey (Click to copy)
VTTQLJSVWSAULH-FFIJXKSSSA-N
InChi (Click to copy)
InChI=1S/C30H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-2/h4-5,8-9,12-13,16-17H,3,6-7,10-11,14-15,18-29H2,1-2H3/b5-4+,9-8+,13-12+,17-16+
SMILES (Click to copy)
C(CCCCCCCCCCCC/C=C/CC/C=C/CC/C=C/CC/C=C/CC)(=O)OC

Other Databases

PubChem CID
171120551

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 531.94
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.82
Molar Refractivity 141.97

Admin

Created at
26th Aug 2020
Updated at
6th Jun 2022