Structure Database (LMSD)

HO O OH H 2 N OH H NH 2
Common Name
Oceanin
Systematic Name
(2R,3R,26R,27S)-2,27-diamino-1,3,26-trihydroxyoctacosan-11-one
Synonyms
  • Oceanin
LM ID
LMSP01080068
Formula
C28H58N2O4
Exact Mass
Calculate m/z
486.439658
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

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

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Created at
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Updated at
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