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beta-D-galactosyl-(1<->1')-N-icosanoyl-(4E,14Z)-sphingadienine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132455

A galactosylceramide obtained by formal condensation of the carboxy group of icosanoic acid with the amino group of beta-D-galactosyl-(1<->1')-(4E,14Z)-sphingadienine.

Term info

Label

beta-D-galactosyl-(1<->1')-N-icosanoyl-(4E,14Z)-sphingadienine

Synonyms
  • N-[(2S,3R,4E,14Z)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadeca-4,14-dien-2-yl]icosanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,3R,4E,14Z)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadeca-4,14-dien-2-yl]icosanamide [ IUPAC ]

charge

0

formula

C44H83NO8

has obo namespace

chebi_ontology

has related synonym

beta-D-galactosyl-(1<->1')-N-eicosanoyl-(4E,14Z)-sphingadienine, GalCer(d18:2/20:0), N-(eicosanoyl)-1-beta-galactosyl-4E,14Z-sphingadienine

id

CHEBI:132455

inchi

InChI=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

inchikey

JNYZDNIARSRXLF-OIBHHYQOSA-N

mass

754.133

monoisotopicmass

753.61187

smiles

[C@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(NC(CCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO