Structure Database (LMSD)

Common Name
FMC-6(d18:1/24:0(2-OH))
Systematic Name
N-(2-hydroxy-tetracosanoyl)-1-β-(2',3',4',6'-tetra-O-acetyl-galactosyl)-3-O-acetyl-sphing-4-enine
Synonyms
  • 3-O-acetyl-sphingosine-2,3,4,6-tetra-O-acetyl-GalCer(d18:1/h24:0)
LM ID
LMSP05010037
Formula
C58H103NO14
Exact Mass
Calculate m/z
1037.737859
Abbrev Chains
FMC-6 18:1;O2/24:0;O
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
Rattus norvegicus (#10116)
Mammalia (#40674)
Novel myelin penta- and hexa-acetyl-galactosyl-ceramides: structural characterization and immunoreactivity in cerebrospinal fluid.,
J Lipid Res, 2010
Pubmed ID: 20154333

String Representations

InChiKey (Click to copy)
OLKJWPXJMFDRJU-OAVFENCESA-N
InChi (Click to copy)
InChI=1S/C58H103NO14/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-31-33-35-37-39-41-51(65)57(66)59-50(52(69-46(4)61)42-40-38-36-34-32-29-21-19-17-15-13-11-9-2)43-68-58-56(72-49(7)64)55(71-48(6)63)54(70-47(5)62)53(73-58)44-67-45(3)60/h40,42,50-56,58,65H,8-39,41,43-44H2,1-7H3,(H,59,66)/b42-40+/t50-,51?,52+,53+,54-,55-,56+,58+/m0/s1
SMILES (Click to copy)
[C@](CO[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](COC(=O)C)O1)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(OC(C)=O)/C=C/CCCCCCCCCCCCC

Other Databases

PubChem CID
52931248

Calculated Physicochemical Properties

Heavy Atoms 73
Rings 1
Aromatic Rings 0
Rotatable Bonds 51
Van der Waals Molecular Volume 1115.18
Topological Polar Surface Area 201.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 15
logP 15.19
Molar Refractivity 289.32

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Created at
-
Updated at
27th Jul 2021