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CHEBI:42965 - β-D-glucosyl-N-(octadecanoyl)sphinganine

ChEBI IDCHEBI:42965
ChEBI Nameβ-D-glucosyl-N-(octadecanoyl)sphinganine
Stars
ASCII Namebeta-D-glucosyl-N-(octadecanoyl)sphinganine
DefinitionA sphinganine derivative having a β-D-glucosyl group at the 1-position and an octadecanoyl group attached to the nitrogen.
Last Modified31 December 2016
DownloadsMolfile
FormulaC42H83NO8
Net Charge0
Average Mass730.125
Monoisotopic Mass729.61187
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C42H83NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35-37,39-42,44-45,47-49H,3-34H2,1-2H3,(H,43,46)/t35-,36+,37+,39+,40-,41+,42+/m0/s1
InChIKeyDSRCOSQOBBICFU-PGDSXFBCSA-N
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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-glucosyl-N-(octadecanoyl)sphinganine (CHEBI:42965) has role epitope (CHEBI:53000)
β-D-glucosyl-N-(octadecanoyl)sphinganine (CHEBI:42965) is a glycodihydroceramide (CHEBI:60451)
IUPAC Name 
N-[(2S,3S)-1-(β-D-glucopyranosyloxy)-3-hydroxyoctadecan-2-yl]octadecanamide
Synonyms  Source
N-{(1S,2S)-1-[(beta-D-glucopyranosyloxy)methyl]-2-hydroxyoctadecyl}octadecanamidePDBeChem
β-D-glucopyranosyl-N-(octadecanoyl)sphinganineChEBI
Manual XrefsDatabases
GM2PDBeChem
1GZPPDB
Citations