Structure Database (LMSD)

Common Name
Oceanin
Systematic Name
(2R,3R,26R,27S)-2,27-diamino-1,3,26-trihydroxyoctacosan-11-one
Synonyms
  • Oceanin
LM ID
LMSP01080068
Status
Active
Exact Mass
Calculate m/z
486.439658
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
MLAUFTDRZCCVCB-VWEWBFCZSA-N
InChi (Click to copy)
InChI=1S/C28H58N2O4/c1-24(29)27(33)21-17-13-9-7-5-3-2-4-6-8-11-15-19-25(32)20-16-12-10-14-18-22-28(34)26(30)23-31/h24,26-28,31,33-34H,2-23,29-30H2,1H3/t24-,26+,27+,28-/m0/s1
SMILES (Click to copy)
[C@]([H])(N)(C)[C@H](O)CCCCCCCCCCCCCCC(CCCCCCC[C@H](O)[C@H](N)CO)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Acremonium (#2689091)
Sordariomycetes (#147550)
Hypoculoside, a sphingoid base-like compound from Acremonium disrupts the membrane integrity of yeast cells.,
Sci Rep, 2019
Pubmed ID: 30679518

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 547.48
Topological Polar Surface Area 129.80
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 6.57
Molar Refractivity 145.23

Admin

Created at
-
Updated at
-