Structure Database (LMSD)

Common Name
nacq#2
Systematic Name
N-(deca-2E,4E,7Z-trienoyl)-L-glutamine
Synonyms
LM ID
LMFA08020411
Formula
C15H22N2O4
Exact Mass
Calculate m/z
294.157958
Sum Composition
NAGln 10:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caenorhabditis elegans (#6239)
Chromadorea (#119089)
An excreted small molecule promotes C. elegans reproductive development and aging.,
Nat Chem Biol, 2019
Pubmed ID: 31320757

String Representations

InChiKey (Click to copy)
MFDQKHCMUMALFO-BQCLUSRISA-N
InChi (Click to copy)
InChI=1S/C15H22N2O4/c1-2-3-4-5-6-7-8-9-14(19)17-12(15(20)21)10-11-13(16)18/h3-4,6-9,12H,2,5,10-11H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/b4-3-,7-6+,9-8+/t12-/m0/s1
SMILES (Click to copy)
N(C(/C=C/C=C/C/C=C\CC)=O)[C@H](C(=O)O)CCC(=O)N

Other Databases

PubChem CID
138376559

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 309.38
Topological Polar Surface Area 109.49
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 1.58
Molar Refractivity 80.83

Admin

Created at
7th Feb 2023
Updated at
19th Feb 2024