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CHEBI:495150 - 1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol

ChEBI IDCHEBI:495150
ChEBI Name1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol
DefinitionA glycophytoceramide comprising (2S,3S,4R)-2-aminononane-1,3,4-triol having an α-D-galctopyranosyl residue at the O-1 position and an tetracosanoyl group attached to the nitrogen.
Last Modified26 February 2018
DownloadsMolfile
FormulaC39H77NO9
Net Charge0
Average Mass704.043
Monoisotopic Mass703.55983
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCC
InChIInChI=1S/C39H77NO9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-34(43)40-31(35(44)32(42)27-25-6-4-2)30-48-39-38(47)37(46)36(45)33(29-41)49-39/h31-33,35-39,41-42,44-47H,3-30H2,1-2H3,(H,40,43)/t31-,32+,33+,35-,36-,37-,38+,39-/m0/s1
InChIKeyMPKIDHIOYNMFES-CLTBVUQJSA-N
Roles Classification
Biological Roles:
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.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol (CHEBI:495150) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol (CHEBI:495150) has role epitope (CHEBI:53000)
1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triol (CHEBI:495150) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxynonan-2-yl]tetracosanamide
Synonyms  Source
OCH (PBS 20)ChEBI
(2S,3S,4R)-1-O-(α-D-galactopyranosyl)-N-tetracosanyl-2-aminononane-1,3,4-triolChEBI
OCHChEBI
Galα-Cer(t9:0/24:0)ChEBI
OCH9ChEBI
Registry NumbersSources
Reaxys:9892753Reaxys
Citations