CHEBI:139169 - 1-O-(α-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine

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ChEBI Name 1-O-(α-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine
ChEBI ID CHEBI:139169
ChEBI ASCII Name 1-O-(alpha-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine
Definition A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 21-phenylhenicosanoyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C51H93NO9
Net Charge 0
Average Mass 864.287
Monoisotopic Mass 863.68503
InChI InChI=1S/C51H93NO9/c1-2-3-4-5-6-7-8-18-21-24-27-33-38-44(54)47(56)43(41-60-51-50(59)49(58)48(57)45(40-53)61-51)52-46(55)39-34-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-30-35-42-36-31-29-32-37-42/h29,31-32,36-37,43-45,47-51,53-54,56-59H,2-28,30,33-35,38-41H2,1H3,(H,52,55)/t43-,44+,45+,47-,48-,49-,50+,51-/m0/s1
InChIKey MYHHYQCEXAXOLR-SVYZMDQNSA-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(CCCCCCCCCCCCCCCCCCCCC=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-O-(α-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine (CHEBI:139169) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(21-phenylhenicosanoyl)phytosphingosine (CHEBI:139169) is a glycophytoceramide (CHEBI:59389)
IUPAC Name
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-21-phenylhenicosanamide
Synonym Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-21-phenylhenicosanamide IUPAC
Citation Waiting for Citations Type Source
20616071 PubMed citation Europe PMC
Last Modified
30 November 2017