LIPID MAPS

Structure Database (LMSD)

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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

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

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

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

DOI: 10.1016/S0040-4020(00)00548-2

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

Admin

Created at

21st May 2020

Updated at