Structure Database (LMSD)

Common Name
GlcCer(d18:1/23:0)
Systematic Name
N-(tricosanoyl)-1-β-glucosyl-sphing-4-enine
Synonyms
LM ID
LMSP0501AA32
Formula
Exact Mass
Calculate m/z
797.674469
Sum Composition
Abbrev Chains
GlcCer 18:1;O2/23:0
Status
Active

Classification

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
SJGWLQDELUWRDA-LXFZZQTPSA-N
InChi (Click to copy)
InChI=1S/C47H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-43(51)48-40(39-55-47-46(54)45(53)44(52)42(38-49)56-47)41(50)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h34,36,40-42,44-47,49-50,52-54H,3-33,35,37-39H2,1-2H3,(H,48,51)/b36-34+/t40-,41+,42+,44+,45-,46+,47+/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(CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 56
Rings 1
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 885.34
Topological Polar Surface Area 150.78
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 12.69
Molar Refractivity 235.07

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Created at
-
Updated at
26th Jul 2021