Structure Database (LMSD)

Common Name
N-(4-isobutyramidobutyl)-15-methyl-N-(4-pentanamidobutyl)hexadecanamide
Systematic Name
N-(4-isobutyramidobutyl)-15-methyl-N-(4-pentanamidobutyl)hexadecanamide
Synonyms
  • Homospermidine lipid
LM ID
LMFA08020233
Formula
C34H67N3O3
Exact Mass
Calculate m/z
565.518242
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Myxococcus xanthus DK 1622 (#246197)
Myxococcia (#32015)
Homospermidine Lipids: A Compound Class Specifically Formed during Fruiting Body Formation of Myxococcus xanthus DK1622.,
ACS Chem Biol, 2018
Pubmed ID: 29185703

String Representations

InChiKey (Click to copy)
AIKFNLGXHRKOLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H67N3O3/c1-6-7-24-32(38)35-26-19-21-28-37(29-22-20-27-36-34(40)31(4)5)33(39)25-18-16-14-12-10-8-9-11-13-15-17-23-30(2)3/h30-31H,6-29H2,1-5H3,(H,35,38)(H,36,40)
SMILES (Click to copy)
C(C(N(CCCCNC(=O)C(C)C)CCCCNC(=O)CCCC)=O)CCCCCCCCCCCCC(C)C

Other Databases

PubChem CID
145453485

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 648.21
Topological Polar Surface Area 78.51
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 9.32
Molar Refractivity 172.25

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Updated at
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