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

Go to external page http://purl.obolibrary.org/obo/CHEBI_132459

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

Term info

Label

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

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

3_STAR

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

charge

0

formula

C46H87NO8

has obo namespace

chebi_ontology

has related synonym

N-(docosanoyl)-1-beta-galactosyl-4E,14Z-sphingadienine, GalCer(d18:2/22:0)

id

CHEBI:132459

inchi

InChI=1S/C46H87NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10,33,35,39-41,43-46,48-49,51-53H,3-7,9,11-32,34,36-38H2,1-2H3,(H,47,50)/b10-8-,35-33+/t39-,40+,41+,43-,44-,45+,46+/m0/s1

inchikey

BZVOAOVDSULRAB-NUBHLNQHSA-N

mass

782.187

monoisotopicmass

781.64317

smiles

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