Structure Database (LMSD)

Common Name
GM4(d18:1/24:0)
Systematic Name
NeuAcα2-3Galβ-Cer(d18:1/24:0)
Synonyms
LM ID
LMSP0601AA05
Formula
Exact Mass
Calculate m/z
1102.785538
Sum Composition
Status
Active (generated by computational methods)

Classification

Reactions

Filter by species:
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.
Click on an edge to display the reaction(s).
Reactions graph legend

String Representations

InChiKey (Click to copy)
LZCFSJRMQJBARN-AYVYHJQSSA-N
InChi (Click to copy)
InChI=1S/C59H110N2O16/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-50(68)61-45(46(65)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)43-74-57-54(71)56(53(70)49(42-63)75-57)77-59(58(72)73)40-47(66)51(60-44(3)64)55(76-59)52(69)48(67)41-62/h36,38,45-49,51-57,62-63,65-67,69-71H,4-35,37,39-43H2,1-3H3,(H,60,64)(H,61,68)(H,72,73)/b38-36+/t45-,46+,47-,48+,49+,51+,52+,53-,54+,55+,56-,57+,59-/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C2)C(O)=O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 77
Rings 2
Aromatic Rings 0
Rotatable Bonds 48
Van der Waals Molecular Volume 1156.62
Topological Polar Surface Area 298.40
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 16
logP 12.26
Molar Refractivity 304.68

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Created at
-
Updated at
26th Jul 2021