Structure Database (LMSD)

Common Name
GlcCer(d18:2(4E,8Z)/19:0(2OH[R]))
Systematic Name
N-(2R-hydroxynonadecanoyl)-1-β-glucosyl-4E,8Z-octadecasphingadienine
Synonyms
  • 1-O-glucopyranosyl-2-N-2'-hydroxynonadecanoyl-4,8-sphingadienine
LM ID
LMSP05010051
Formula
Exact Mass
Calculate m/z
755.591134
Sum Composition
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Dracontium (#2631339)
Magnoliopsida (#3398)
Qualitative on-line profiling of ceramides and cerebrosides by high performance liquid chromatography coupled with electrospray ionization ion trap tandem mass spectrometry: the case of Dracontium loretense.,
J Pharm Biomed Anal, 2011
Pubmed ID: 21282027

String Representations

InChiKey (Click to copy)
DAQNCFLCNYMEKA-KRMKHEAUSA-N
InChi (Click to copy)
InChI=1S/C43H81NO9/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(47)42(51)44-35(34-52-43-41(50)40(49)39(48)38(33-45)53-43)36(46)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h21,23,29,31,35-41,43,45-50H,3-20,22,24-28,30,32-34H2,1-2H3,(H,44,51)/b23-21-,31-29+/t35-,36+,37+,38+,39+,40-,41+,43+/m0/s1
SMILES (Click to copy)
[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 1
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 822.29
Topological Polar Surface Area 171.01
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 10.16
Molar Refractivity 218.41

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Created at
-
Updated at
20th Jul 2021