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CHEBI:132456 - β-D-glucosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine

ChEBI IDCHEBI:132456
ChEBI Nameβ-D-glucosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine
Stars
ASCII Namebeta-D-glucosyl-(1<->1')-N-icosanoyl-(4E,14Z)-sphingadienine
DefinitionA β-D-glucosylceramide obtained by formal condensation of the carboxy group of icosanoic acid with the amino group of β-D-glucosyl-(1↔1')-(4E,14Z)-sphingadienine.
Last Modified13 January 2017
Submittermwilliams
DownloadsMolfile
FormulaC44H83NO8
Net Charge0
Average Mass754.147
Monoisotopic Mass753.61187
SMILESCCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H83NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10,31,33,37-39,41-44,46-47,49-51H,3-7,9,11-30,32,34-36H2,1-2H3,(H,45,48)/b10-8-,33-31+/t37-,38+,39+,41+,42-,43+,44+/m0/s1
InChIKeyJNYZDNIARSRXLF-YMVGIHHXSA-N
Species of MetaboliteComponentSourceComments
Calanus helgolandicus (ncbitaxon:114068)
- MetaboLights (MTBLS91)
- PubMed (26364855)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
β-D-glucosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132456) has functional parent icosanoic acid (CHEBI:28822)
β-D-glucosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132456) has functional parent sphinga-4E,14Z-dienine (CHEBI:73889)
β-D-glucosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132456) has role marine metabolite (CHEBI:76507)
β-D-glucosyl-(1↔1')-N-icosanoyl-(4E,14Z)-sphingadienine (CHEBI:132456) is a β-D-glucosylceramide (CHEBI:83264)
IUPAC Name 
N-[(2S,3R,4E,14Z)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadeca-4,14-dien-2-yl]icosanamide
Synonyms  Source
N-(eicosanoyl)-1-β-galactosyl-4E,14Z-sphingadienineLIPID MAPS
β-D-glucosyl-(1↔1')-N-eicosanoyl-(4E,14Z)-sphingadienineChEBI
GlcCer(d18:2/20:0)LIPID MAPS
Manual XrefsDatabases
LMSP0501AA34LIPID MAPS
Citations