EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:528968 - 1-O-(α-D-galactopyranosyl)-N-(8-phenyloctanoyl)phytosphingosine

ChEBI IDCHEBI:528968
ChEBI Name1-O-(α-D-galactopyranosyl)-N-(8-phenyloctanoyl)phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-(8-phenyloctanoyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-phenyloctanoyl group attached to the nitrogen.
Last Modified4 December 2017
DownloadsMolfile
FormulaC38H67NO9
Net Charge0
Average Mass681.952
Monoisotopic Mass681.48158
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCc1ccccc1
InChIInChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1
InChIKeyYEKLGTQAMSELFI-ZORUMLJWSA-N
Roles Classification
Biological Role:
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-(8-phenyloctanoyl)phytosphingosine (CHEBI:528968) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(8-phenyloctanoyl)phytosphingosine (CHEBI:528968) is a glycophytoceramide (CHEBI:59389)
IUPAC Names 
C8Ph
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-8-phenyloctanamide
Synonym  Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-8-phenyloctanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:10512989Reaxys
Citations