Structure Database (LMSD)

Common Name
Chaetomadramine C
Systematic Name
N-α-myristoyl-N-δ-anhydromevalonyl-Nδ-hydroxy-omithine
Synonyms
LM ID
LMFA08020453
Formula
C25H46N2O6
Exact Mass
Calculate m/z
470.335588
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chaetomium madrasense (#1036254)
Sordariomycetes (#147550)
Chaetomadramines A-E, a class of siderophores with potent neuroprotective activity from the fungus Chaetomium madrasense cib-1.,
Fitoterapia, 2023
Pubmed ID: 36375689

String Representations

InChiKey (Click to copy)
QTDKEOCNBSNEJY-URWVEQFTSA-N
InChi (Click to copy)
InChI=1S/C25H46N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-16-23(29)26-22(25(31)32)15-14-18-27(33)24(30)20-21(2)17-19-28/h20,22,28,33H,3-19H2,1-2H3,(H,26,29)(H,31,32)/b21-20+/t22-/m0/s1
SMILES (Click to copy)
N(C(=O)CCCCCCCCCCCCC)[C@H](C(=O)O)CCCN(C(/C=C(/CCO)\C)=O)O

Calculated Physicochemical Properties

Heavy Atoms 33
Rings
Aromatic Rings
Rotatable Bonds 21
Van der Waals Molecular Volume 505.24
Topological Polar Surface Area 127.17
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 5.61
Molar Refractivity 130.19

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Created at
21st Feb 2025
Updated at
21st Feb 2025