CHEBI:84706 - β-D-galactosyl-(1↔1ʼ)-N-docosanoylsphinganine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name β-D-galactosyl-(1↔1ʼ)-N-docosanoylsphinganine ChEBI ID CHEBI:84706 ChEBI ASCII Name beta-D-galactosyl-(1<->1')-N-docosanoylsphinganine Definition A β-D-galactosyl-(1↔1ʼ)-N-acylsphinganine in which the acyl group specified is docosanoyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C46H91NO8 Net Charge 0 Average Mass 786.21660 Monoisotopic Mass 785.67447 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-PCLFXDIFSA-N 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 Metabolite of Species Details Mus musculus (NCBI:txid10090) See: MetaboLights Study Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing β-D-galactosyl-(1↔1ʼ)-N-docosanoylsphinganine (CHEBI:84706) has functional parent docosanoic acid (CHEBI:28941) β-D-galactosyl-(1↔1ʼ)-N-docosanoylsphinganine (CHEBI:84706) has role mouse metabolite (CHEBI:75771) β-D-galactosyl-(1↔1ʼ)-N-docosanoylsphinganine (CHEBI:84706) is a β-D-galactosyl-(1↔1ʼ)-N-acylsphinganine (CHEBI:82920) IUPAC Name N-[(2S,3R)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadecan-2-yl]docosanamide Synonyms Sources GalCer(d18:0/22:0) LIPID MAPS N-(docosanoyl)-1-β-galactosyl-sphinganine LIPID MAPS Manual Xref Database LMSP0501AC13 LIPID MAPS View more database links Last Modified 05 February 2015