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CHEBI:528967 - 1-O-(α-D-galactopyranosyl)-N-(6-phenylhexanoyl)phytosphingosine

ChEBI IDCHEBI:528967
ChEBI Name1-O-(α-D-galactopyranosyl)-N-(6-phenylhexanoyl)phytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-(6-phenylhexanoyl)phytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 6-phenylhexanoyl group attached to the nitrogen.
Last Modified30 November 2017
DownloadsMolfile
FormulaC36H63NO9
Net Charge0
Average Mass653.898
Monoisotopic Mass653.45028
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)CCCCCc1ccccc1
InChIInChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
InChIKeyOIUCZFOCUKYLRK-QNAIHFNASA-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-(6-phenylhexanoyl)phytosphingosine (CHEBI:528967) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(6-phenylhexanoyl)phytosphingosine (CHEBI:528967) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-6-phenylhexanamide
Synonyms  Source
N-((2S,3S,4R)-3,4-dihydroxy-1-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)octadecan-2-yl)-6-phenylhexanamideChEMBL
C6PhChEBI
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-6-phenylhexanamideIUPAC
Manual XrefsDatabases
CA2683681Patent
Registry NumbersSources
Reaxys:10512158Reaxys
Citations