Terminology Service for NFDI4Health
JSON

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

Go to external page http://purl.obolibrary.org/obo/CHEBI_132457

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

Term info

Label

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

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

3_STAR

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

charge

0

formula

C45H85NO8

has obo namespace

chebi_ontology

has related synonym

beta-D-galactosyl-(1<->1')-N-heneicosanoyl-(4E,14Z)-sphingadienine, GalCer(d18:2/21:0), N-(heneicosanoyl)-1-beta-galactosyl-4E,14Z-sphingadienine

id

CHEBI:132457

inchi

InChI=1S/C45H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-41(49)46-38(37-53-45-44(52)43(51)42(50)40(36-47)54-45)39(48)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h8,10,32,34,38-40,42-45,47-48,50-52H,3-7,9,11-31,33,35-37H2,1-2H3,(H,46,49)/b10-8-,34-32+/t38-,39+,40+,42-,43-,44+,45+/m0/s1

inchikey

HPXKQDNHZNVSHF-MPGUYWTOSA-N

mass

768.160

monoisotopicmass

767.62752

smiles

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