Structure Database (LMSD)

Common Name
Hygrophamide
Systematic Name
N-(2R-hydroxy-9Z-tetracosenoyl)-4R-hydroxysphinganine;
Synonyms
  • N-(2R-hydroxy-9Z-tetracosenoyl)-hydroxysphinganine
  • Cer(t18:0/24:1(9Z)(2OH[R]))
LM ID
LMSP02030078
Status
Active
Exact Mass
Calculate m/z
681.627124
Formula
C42H83NO5
Abbrev
Cer 42:1;O4
Abbrev Chains
Cer 18:0;O3/24:1;O
Show lipids differing only in stereochemistry/bond geometry
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
CFZHDWRCMXJUGC-SQPSIMPMSA-N
InChi (Click to copy)
InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h23-24,38-41,44-47H,3-22,25-37H2,1-2H3,(H,43,48)/b24-23-/t38-,39+,40+,41-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCC/C=C\CCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hygrophorus eburneus (#104226)
Agaricomycetes (#155619)
Isolation and Structure of a New Ceramide from the Basidiomycete Hygrophorus eburnesus,
Zeitschrift für Naturforschung B, 2014

Other Databases

PubChem CID
101726566

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 0
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 784.83
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 12.06
Molar Refractivity 207.81

Admin

Created at
22nd Jun 2020
Updated at
7th Jul 2020