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CHEBI:527437 - 1-O-(α-D-galactopyranosyl)-N-octanoylphytosphingosine

ChEBI IDCHEBI:527437
ChEBI Name1-O-(α-D-galactopyranosyl)-N-octanoylphytosphingosine
Stars
ASCII Name1-O-(alpha-D-galactopyranosyl)-N-octanoylphytosphingosine
DefinitionA glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an octanoyl group attached to the nitrogen.
Secondary ChEBI IDCHEBI:44689
Last Modified23 December 2014
DownloadsMolfile
FormulaC32H63NO9
Net Charge0
Average Mass605.854
Monoisotopic Mass605.45028
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)CCCCCCC
InChIInChI=1S/C32H63NO9/c1-3-5-7-9-10-11-12-13-14-15-17-18-20-25(35)28(37)24(33-27(36)21-19-16-8-6-4-2)23-41-32-31(40)30(39)29(38)26(22-34)42-32/h24-26,28-32,34-35,37-40H,3-23H2,1-2H3,(H,33,36)/t24-,25+,26+,28-,29-,30-,31+,32-/m0/s1
InChIKeyPFXOKSFCNLTBGK-YFWOXBOYSA-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-octanoylphytosphingosine (CHEBI:527437) has functional parent octanoic acid (CHEBI:28837)
1-O-(α-D-galactopyranosyl)-N-octanoylphytosphingosine (CHEBI:527437) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-octanoylphytosphingosine (CHEBI:527437) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]octanamide
Synonyms  Source
(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOLPDBeChem
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)octanamideChEMBL
PBS-25ChEBI
(2S,3S,4R)-N-octanoyl-1-[(α-D-galactopyranosyl)oxy]- 2-amino-octadecane-3,4-diolChEBI
α-GC, C8:0/C18:0ChEBI
α-GC (C8:0/C18:0)ChEBI
Manual XrefsDatabases
PBSPDBeChem
Registry NumbersSources
Reaxys:9891280Reaxys
Citations