CHEBI:139142 - 1-O-(α-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine

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ChEBI Name 1-O-(α-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine
ChEBI ID CHEBI:139142
ChEBI ASCII Name 1-O-(alpha-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine
Definition A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 9-phenylnonanoyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H69NO9
Net Charge 0
Average Mass 695.968
Monoisotopic Mass 695.49723
InChI InChI=1S/C39H69NO9/c1-2-3-4-5-6-7-8-9-10-11-15-21-26-32(42)35(44)31(29-48-39-38(47)37(46)36(45)33(28-41)49-39)40-34(43)27-22-16-13-12-14-18-23-30-24-19-17-20-25-30/h17,19-20,24-25,31-33,35-39,41-42,44-47H,2-16,18,21-23,26-29H2,1H3,(H,40,43)/t31-,32+,33+,35-,36-,37-,38+,39-/m0/s1
InChIKey KNEAHURFYMBXKR-CLTBVUQJSA-N
SMILES [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCC=2C=CC=CC2)=O
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylphytosphingosine )
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ChEBI Ontology
Outgoing 1-O-(α-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine (CHEBI:139142) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(9-phenylnonanoyl)phytosphingosine (CHEBI:139142) is a glycophytoceramide (CHEBI:59389)
IUPAC Name
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-9-phenylnonanamide
Synonym Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-9-phenylnonanamide IUPAC
Manual Xrefs Databases
US2009117089 Patent
US2009233875 Patent
WO2008128062 Patent
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Registry Number Type Source
15490747 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18712867 PubMed citation Europe PMC
20616071 PubMed citation Europe PMC
Last Modified
30 November 2017