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CHEBI:73560 - 1-O-(6-deoxy-6-benzamido-α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine

ChEBI IDCHEBI:73560
ChEBI Name1-O-(6-deoxy-6-benzamido-α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine
Stars
ASCII Name1-O-(6-deoxy-6-benzamido-alpha-D-galactopyranosyl)-N-hexacosanoylphytosphingosine
DefinitionA glycophytoceramide having a 6-deoxy-6-benzamido-α-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen.
Last Modified10 May 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC57H104N2O9
Net Charge0
Average Mass961.464
Monoisotopic Mass960.77418
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C57H104N2O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-40-44-51(61)59-48(52(62)49(60)43-39-34-32-30-28-16-14-12-10-8-6-4-2)46-67-57-55(65)54(64)53(63)50(68-57)45-58-56(66)47-41-37-36-38-42-47/h36-38,41-42,48-50,52-55,57,60,62-65H,3-35,39-40,43-46H2,1-2H3,(H,58,66)(H,59,61)/t48-,49+,50+,52-,53-,54-,55+,57-/m0/s1
InChIKeyHUYHBUSYKLSCKT-RGAVQTIPSA-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-deoxy-6-benzamido-α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine (CHEBI:73560) has functional parent phytosphingosine (CHEBI:46961)
1-O-(6-deoxy-6-benzamido-α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine (CHEBI:73560) is a glycophytoceramide (CHEBI:59389)
IUPAC Name 
N-[(2S,3S,4R)-1-{[6-(benzoylamino)-6-deoxy-α-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Synonyms  Source
BzNH-α-GalCerChEBI
1-O-(6-benzamido-6-deoxy-α-D-galactopyranosyl)-2-hexacosylamino-1,3,4-octadecanetriolChEBI
Registry NumbersSources
Reaxys:19094798Reaxys
Citations