Terminology Service for NFDI4Health
JSON

beta-D-galactosyl-(1<->1')-N-(docosanoyl)hexadecasphingosine

Go to external page http://purl.obolibrary.org/obo/CHEBI_132453

A galactosylceramide obtained by formal condensation of the carboxy group of docosanoic acid with the amino group of beta-D-galactosyl-(1<->1')-hexadecasphingosine.

Term info

Label

beta-D-galactosyl-(1<->1')-N-(docosanoyl)hexadecasphingosine

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

3_STAR

IUPAC NAME
N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyhexadec-4-en-2-yl]docosanamide [ IUPAC ]

charge

0

formula

C44H85NO8

has obo namespace

chebi_ontology

has related synonym

GalCer(d16:1/22:0), N-(docosanoyl)-1-beta-galactosyl-hexadecasphing-4-enine, beta-D-galactosyl-(1<->1')-N-(docosanoyl)hexadecasphing-4-enine

id

CHEBI:132453

inchi

InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31+/t37-,38+,39+,41-,42-,43+,44+/m0/s1

inchikey

IRYUYISTIPWPQG-PWUIYKNCSA-N

mass

756.149

monoisotopicmass

755.62752

smiles

[C@H]([C@@H](/C=C/CCCCCCCCCCC)O)(NC(CCCCCCCCCCCCCCCCCCCCC)=O)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO