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CHEBI:84758 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine

ChEBI IDCHEBI:84758
ChEBI Nameβ-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine
Stars
ASCII Namebeta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-hexadecanoylsphingosine
DefinitionA β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylsphingosine in which the acyl group specified is hexadecanoyl.
Last Modified11 February 2015
Submitternamrata
DownloadsMolfile
FormulaC46H87NO13
Net Charge0
Average Mass862.196
Monoisotopic Mass861.61774
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C46H87NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h27,29,34-37,39-46,48-50,52-56H,3-26,28,30-33H2,1-2H3,(H,47,51)/b29-27+/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/m0/s1
InChIKeyHLIJNIKSBCIDGO-QKLMXXKVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine (CHEBI:84758) has functional parent hexadecanoic acid (CHEBI:15756)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine (CHEBI:84758) has role mouse metabolite (CHEBI:75771)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexadecanoylsphingosine (CHEBI:84758) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950)
IUPAC Name 
N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexadecanamide
Synonyms  Source
LacCer(d18:1/16:0)LIPID MAPS
N-(hexadecanoyl)-1-b-lactosyl-sphing-4-enineLIPID MAPS
Manual XrefsDatabases
LMSP0501AB03LIPID MAPS
HMDB0006750HMDB