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CHEBI:134025 - 1-O-(6-thio-α-D-galactopyranosyl)-N-hexacosanylphytosphingosine

ChEBI IDCHEBI:134025
ChEBI Name1-O-(6-thio-α-D-galactopyranosyl)-N-hexacosanylphytosphingosine
Stars
ASCII Name1-O-(6-thio-alpha-D-galactopyranosyl)-N-hexacosanylphytosphingosine
DefinitionA glycophytoceramide having a 6-thio-α-D-galactopyranosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen.
Last Modified24 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC50H99NO8S
Net Charge0
Average Mass874.408
Monoisotopic Mass873.70914
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CS)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C50H99NO8S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(53)51-42(40-58-50-49(57)48(56)47(55)44(41-60)59-50)46(54)43(52)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52,54-57,60H,3-41H2,1-2H3,(H,51,53)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
InChIKeyNTVUVQSMGPPRAN-BYSUZVQFSA-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-(6-thio-α-D-galactopyranosyl)-N-hexacosanylphytosphingosine (CHEBI:134025) has functional parent 6-thio-β-D-galactose (CHEBI:134026)
1-O-(6-thio-α-D-galactopyranosyl)-N-hexacosanylphytosphingosine (CHEBI:134025) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-{(2S,3S,4R)-3,4-dihydroxy-1-[(6-thio-α-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide
Synonyms  Source
6''-deoxy-6''-thio-α-GalCerChEBI
Gal6Sα-Cer(t18:0/26:0)ChEBI
α-Gal6SCer(C26)ChEBI
N-{(2S,3S,4R)-3,4-dihydroxy-1-[(6-thio-α-D-galactosyl)oxy]octadecan-2-yl}hexacosanamideChEBI
N-{(2S,3S,4R)-3,4-dihydroxy-1-[(6-deoxy-6-thio-α-D-galactosyl)oxy]octadecan-2-yl}hexacosanamideChEBI
Registry NumbersSources
Reaxys:27718696Reaxys
Citations