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beta-D-glucosyl-(1<->1')-N-docosanoyl-14-methylhexadecasphingosine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132779

A beta-D-glucosylceramide in which a beta-D-glucosyl residue attached to the primary hydroxyl group of N-docosanoyl-14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans.

Term info

Label

beta-D-glucosyl-(1<->1')-N-docosanoyl-14-methylhexadecasphingosine

Synonyms
  • N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxy-14-methylhexadec-4-en-2-yl]docosanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxy-14-methylhexadec-4-en-2-yl]docosanamide [ IUPAC ]

charge

0

formula

C45H87NO8

has obo namespace

chebi_ontology

has related synonym

HexCer(d17:1;3/22:0), beta-D-glucosyl-(1<->1')-N-docosanoyl-14-methylhexadecasphing-4-enine, GlcCer 39:1;3, GlcCer(d17:1;3/22:0), HexCer 39:1;3

id

CHEBI:132779

inchi

InChI=1S/C45H87NO8/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(49)46-38(36-53-45-44(52)43(51)42(50)40(35-47)54-45)39(48)33-30-27-24-22-21-23-26-29-32-37(3)5-2/h30,33,37-40,42-45,47-48,50-52H,4-29,31-32,34-36H2,1-3H3,(H,46,49)/b33-30+/t37?,38-,39+,40+,42+,43-,44+,45+/m0/s1

inchikey

ISHCELWYNXDHHK-MLADXCSWSA-N

mass

770.176

monoisotopicmass

769.64317

smiles

C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO