Structure Database (LMSD)

Common Name
(E)-15-methyl-N,N-bis(4-pentanamidobutyl)hexadec-6-enamide
Systematic Name
15-methyl-N,N-bis(4-pentanamidobutyl)hexadec-6E-enamide
Synonyms
  • Homospermidine lipid
LM ID
LMFA08020235
Formula
C35H67N3O3
Exact Mass
Calculate m/z
577.518242
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]
Unsaturated fatty acids [FA0103]
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)
CJJUXKQCHUTWFT-ACCUITESSA-N
InChi (Click to copy)
InChI=1S/C35H67N3O3/c1-5-7-25-33(39)36-28-20-22-30-38(31-23-21-29-37-34(40)26-8-6-2)35(41)27-19-17-15-13-11-9-10-12-14-16-18-24-32(3)4/h11,13,32H,5-10,12,14-31H2,1-4H3,(H,36,39)(H,37,40)/b13-11+
SMILES (Click to copy)
C(C(N(CCCCNC(=O)CCCC)CCCCNC(=O)CCCC)=O)CCC/C=C/CCCCCCCC(C)C

Other Databases

PubChem CID
139585685

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 662.87
Topological Polar Surface Area 78.51
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 9.63
Molar Refractivity 176.84

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Updated at
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