CHEBI:145530 - 1-O-(4-O-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine

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ChEBI Name 1-O-(4-O-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine
ChEBI ID CHEBI:145530
ChEBI ASCII Name 1-O-(4-O-propyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine
Definition A glycophytoceramide having a 4-O-propyl-α-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated α-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C53H105NO9
Net Charge 0
Average Mass 900.421
Monoisotopic Mass 899.77893
InChI InChI=1S/C53H105NO9/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-48(57)54-45(44-62-53-51(60)50(59)52(61-42-6-3)47(43-55)63-53)49(58)46(56)40-38-36-34-32-30-18-16-14-12-10-8-5-2/h45-47,49-53,55-56,58-60H,4-44H2,1-3H3,(H,54,57)/t45-,46+,47+,49-,50+,51+,52-,53-/m0/s1
InChIKey SUDMYAISYVQOGJ-BDHLTHOMSA-N
SMILES O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCCC)O)O)C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylphytosphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-O-(4-O-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:145530) has functional parent α-D-galactose (CHEBI:28061)
1-O-(4-O-propyl-α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:145530) is a glycophytoceramide (CHEBI:59389)
IUPAC Name
N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-propyl-α-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Synonyms Sources
(2S,3S,4R)-1-(4-O-propyl-α-D-galactopyranosyloxy)-2-hexacosanoylaminooctadecane-3,4-diol ChEBI
N-[(2S,3S,4R)-1-(4-O-propyl-α-D-galactosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide ChEBI
N-[(2S,3S,4R)-3,4-dihydroxy-1-(4-O-propyl-α-D-galactopyranosyloxy)octadecan-2-yl]hexacosanamide IUPAC
N-{(2S,3S,4R)-1-[(4-O-propyl-α-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide IUPAC
Last Modified
27 November 2019