Structure Database (LMSD)

Common Name
N,N-bis(4-acetamidobutyl)-15-methylhexadec-6E-enamide
Systematic Name
N,N-bis(4-acetamidobutyl)-15-methylhexadec-6E-enamide
Synonyms
  • Homospermidine lipid
LM ID
LMFA08020234
Formula
C29H55N3O3
Exact Mass
Calculate m/z
493.424342
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)
JUKQCFLROLXSKB-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C29H55N3O3/c1-26(2)20-14-12-10-8-6-5-7-9-11-13-15-21-29(35)32(24-18-16-22-30-27(3)33)25-19-17-23-31-28(4)34/h7,9,26H,5-6,8,10-25H2,1-4H3,(H,30,33)(H,31,34)/b9-7+
SMILES (Click to copy)
C(C(N(CCCCNC(=O)C)CCCCNC(=O)C)=O)CCC/C=C/CCCCCCCC(C)C

Other Databases

CHEBI ID
187634
PubChem CID
145453486

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 559.07
Topological Polar Surface Area 78.51
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 7.29
Molar Refractivity 149.14

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Updated at
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