Terminology Service for NFDI4Health
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beta-D-glucosyl-(1<->1')-N-docosanoylsphinganine

Go to external page http://purl.obolibrary.org/obo/CHEBI_84705

A beta-D-glucosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is docosanoyl.

Term info

Label

beta-D-glucosyl-(1<->1')-N-docosanoylsphinganine

Synonyms
  • N-[(2S,3R)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadecan-2-yl]docosanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(2S,3R)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadecan-2-yl]docosanamide [ IUPAC ]

charge

0

formula

C46H91NO8

has obo namespace

chebi_ontology

has related synonym

GlcCer(d18:0/22:0), C22DH GlcCer, N-(docosanoyl)-1-beta-glucosyl-sphinganine

id

CHEBI:84705

inchi

InChI=1S/C46H91NO8/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/h39-41,43-46,48-49,51-53H,3-38H2,1-2H3,(H,47,50)/t39-,40+,41+,43+,44-,45+,46+/m0/s1

inchikey

BCRCIDJHDMYLDJ-WGYZNKDKSA-N

mass

786.21660

monoisotopicmass

785.67447

smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC