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CHEBI:63000 - 1-O-(α-D-glucopyranosyl)-N-icosa-11,14-dienoylphytosphingosine

Default Structure
ChEBI IDCHEBI:63000
ChEBI Name1-O-(α-D-glucopyranosyl)-N-icosa-11,14-dienoylphytosphingosine
Stars
ASCII Name1-O-(alpha-D-glucopyranosyl)-N-icosa-11,14-dienoylphytosphingosine
DefinitionA glycophytoceramide having an α-D-glucopyranosyl residue at the O-1 position and an icosa-11,14-dienoyl group attached to the nitrogen.
Last Modified19 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC44H83NO9
Net Charge0
Average Mass770.146
Monoisotopic Mass769.60678
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=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)CCCCCCCCCCCCCC
InChIInChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-39(48)45-36(35-53-44-43(52)42(51)41(50)38(34-46)54-44)40(49)37(47)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,36-38,40-44,46-47,49-52H,3-10,12,14-16,19-35H2,1-2H3,(H,45,48)/b13-11-,18-17-/t36-,37+,38+,40-,41+,42-,43+,44-/m0/s1
InChIKeyWSXMIFGRYXQZQZ-ZIAYHSIXSA-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-glucopyranosyl)-N-icosa-11,14-dienoylphytosphingosine (CHEBI:63000) has functional parent α-D-glucose (CHEBI:17925)
1-O-(α-D-glucopyranosyl)-N-icosa-11,14-dienoylphytosphingosine (CHEBI:63000) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
(11Z,14Z)-N-[(2S,3S,4R)-1-(α-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
Synonyms  Source
Glcα-Cer(t18:0/20:2)ChEBI
α-GlcCer C20:2ChEBI
Registry NumbersSources
Reaxys:20453350Reaxys
Citations