CHEBI:72337 - 1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine
ChEBI ID CHEBI:72337
ChEBI ASCII Name 1-(3,6-di-O-sulfo-beta-D-galactosyl)-N-lauroylsphingosine
Definition A D-galactosyl-N-acylsphingosine having sulfo groups at the 3- and 6-positions on the galactose ring and lauroyl (dodecanoyl) as the N-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H69NO14S2
Net Charge 0
Average Mass 804.06100
Monoisotopic Mass 803.41595
InChI InChI=1S/C36H69NO14S2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)29(37-32(39)26-24-22-20-17-12-10-8-6-4-2)27-48-36-34(41)35(51-53(45,46)47)33(40)31(50-36)28-49-52(42,43)44/h23,25,29-31,33-36,38,40-41H,3-22,24,26-28H2,1-2H3,(H,37,39)(H,42,43,44)(H,45,46,47)/b25-23+/t29-,30+,31+,33-,34+,35-,36-/m0/s1
InChIKey JBJSVLZKWGLXMO-FRTCEDQTSA-N
SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@H]1O[C@H](COS(O)(=O)=O)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCC
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acyl-beta-D-galactosylsphingosine )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via galactosylceramide sulfate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine (CHEBI:72337) has role epitope (CHEBI:53000)
1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine (CHEBI:72337) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine (CHEBI:72337) is a galactosylceramide sulfate (CHEBI:18318)
IUPAC Name
N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-α-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Synonyms Sources
C12 Di-Sulfo Galactosyl(β) Ceramide (d18:1/12:0)
Note: (2016-06-09) Name in Avanti Polar Lipids catalogue.
 ChEBI
C12:0-di-sulfatide ChEBI
disulfate sulfatide ChEBI
Citations Waiting for Citations Types Sources
23110152 PubMed citation Europe PMC
27242221 PubMed citation Europe PMC
Last Modified
09 June 2016