Structure Database (LMSD)

Common Name
Termitomycesphin C
Systematic Name
N-(2R-hydroxy-hexadecanoyl)-1-β-glucosyl-9-hydroxy,9-methyl-sphing-4E,7E-dienine
Synonyms
LM ID
LMSP05010099
Formula
C41H77NO10
Exact Mass
Calculate m/z
743.554749
Sum Composition
HexCer 35:2;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Termitomyces albuminosus (#79931)
Agaricomycetes (#155619)
Termitomycesphins A–D, Novel Neuritogenic Cerebrosides from the Edible Chinese Mushroom Termitomyces albuminosus,
Tetrahedron, 2000

String Representations

InChiKey (Click to copy)
HHXPTAVGZWZRFI-PEZKSORNSA-N
InChi (Click to copy)
InChI=1S/C41H77NO10/c1-4-6-8-10-12-13-14-15-16-17-19-22-27-34(45)39(49)42-32(31-51-40-38(48)37(47)36(46)35(30-43)52-40)33(44)26-23-21-25-29-41(3,50)28-24-20-18-11-9-7-5-2/h23,25-26,29,32-38,40,43-48,50H,4-22,24,27-28,30-31H2,1-3H3,(H,42,49)/b26-23+,29-25+/t32-,33+,34+,35+,36+,37-,38+,40+,41?/m0/s1
SMILES (Click to copy)
C([C@H](NC([C@H](O)CCCCCCCCCCCCCC)=O)[C@H](O)/C=C/C/C=C/C(O)(C)CCCCCCCCC)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Other Databases

PubChem CID
10327690

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 1
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 796.48
Topological Polar Surface Area 191.24
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 11
logP 8.64
Molar Refractivity 211.08

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Created at
21st May 2020
Updated at
4th Feb 2021