CHEBI:84762 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine

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ChEBI Name β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine ChEBI ID CHEBI:84762 ChEBI ASCII Name beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-docosanoylsphingosine Definition A β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-N-acylsphingosine 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 C52H99NO13 Net Charge 0 Average Mass 946.34140 Monoisotopic Mass 945.71164 InChI InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1 InChIKey QYWVASPEUXEHSY-NNRNTGNWSA-N SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC 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). (via beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine ) human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine ) View more via ChEBI Ontology ChEBI Ontology Outgoing β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine (CHEBI:84762) has functional parent docosanoic acid (CHEBI:28941) β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine (CHEBI:84762) has role mouse metabolite (CHEBI:75771) β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-docosanoylsphingosine (CHEBI:84762) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950) IUPAC Name N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide Synonyms Sources LacCer(d18:1/22:0) LIPID MAPS N-(docosanoyl)-1-b-lactosyl-sphing-4-enine LIPID MAPS Manual Xrefs Databases HMDB0011594 HMDB LMSP0501AB06 LIPID MAPS View more database links Last Modified 11 February 2015