CHEBI:139216 - N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine

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ChEBI Name N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine
ChEBI ID CHEBI:139216
ChEBI ASCII Name N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(alpha-D-galactopyranosyl)phytosphingosine
Definition A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 11-([1,1'-biphenyl]-4-yl)undecanoyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H77NO9
Net Charge 0
Average Mass 800.117
Monoisotopic Mass 799.55983
InChI InChI=1S/C47H77NO9/c1-2-3-4-5-6-7-8-9-10-14-17-23-28-40(50)43(52)39(35-56-47-46(55)45(54)44(53)41(34-49)57-47)48-42(51)29-24-18-15-12-11-13-16-20-25-36-30-32-38(33-31-36)37-26-21-19-22-27-37/h19,21-22,26-27,30-33,39-41,43-47,49-50,52-55H,2-18,20,23-25,28-29,34-35H2,1H3,(H,48,51)/t39-,40+,41+,43-,44-,45-,46+,47-/m0/s1
InChIKey MIVUYAGDSZNGSM-IBYAKCASSA-N
SMILES [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(CCCCCCCCCCC=2C=CC(=CC2)C=3C=CC=CC3)=O
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylphytosphingosine )
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ChEBI Ontology
Outgoing N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139216) has functional parent α-D-galactose (CHEBI:28061)
N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139216) is a glycophytoceramide (CHEBI:59389)
IUPAC Name
11-([1,1'-biphenyl]-4-yl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
Synonyms Sources
1-O-(α-D-galactopyranosyl)-N-[11-([1,1'-biphenyl]-4-yl)undecanoyl]phytosphingosine ChEBI
11-([1,1'-biphenyl]-4-yl)-N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}undecanamide IUPAC
Manual Xref Database
CA2683681 Patent
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Registry Number Type Source
18641316 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18712867 PubMed citation Europe PMC
20616071 PubMed citation Europe PMC
Last Modified
04 December 2017