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CHEBI:139113 - N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide

Default Structure
ChEBI IDCHEBI:139113
ChEBI NameN-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
Stars
ASCII NameN-[(2S,3S,4R)-1-(alpha-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
DefinitionA synthetic sphingoid in which C16 phytosphingosine is substituted at O-1, C-16 and N with respectively an α-D-galactopyranosyl group, a phenyl group and an octanoyl group.
Last Modified21 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H63NO9
Net Charge0
Average Mass653.898
Monoisotopic Mass653.45028
SMILESCCCCCCCC(=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)CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
InChIKeyYDGPBAWHWVHKQP-QNAIHFNASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide (CHEBI:139113) has functional parent C16 phytosphingosine (CHEBI:76698)
N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide (CHEBI:139113) is a sphingoid (CHEBI:35785)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
Synonym  Source
1-O-α-D-galactopyranosyl-N-octanoyl-16-phenyl-(C16 phytosphingosine)ChEBI
Manual XrefsDatabases
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Citations