CHEBI:139211 - N-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine

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ChEBI Name N-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine
ChEBI ID CHEBI:139211
ChEBI ASCII Name N-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(alpha-D-galactopyranosyl)phytosphingosine
Definition A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-([1,1'-biphenyl]-4-yl)octanoyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H71NO9
Net Charge 0
Average Mass 758.038
Monoisotopic Mass 757.51288
InChI InChI=1S/C44H71NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-37(47)40(49)36(32-53-44-43(52)42(51)41(50)38(31-46)54-44)45-39(48)26-21-15-12-13-17-22-33-27-29-35(30-28-33)34-23-18-16-19-24-34/h16,18-19,23-24,27-30,36-38,40-44,46-47,49-52H,2-15,17,20-22,25-26,31-32H2,1H3,(H,45,48)/t36-,37+,38+,40-,41-,42-,43+,44-/m0/s1
InChIKey WWYKWFIXNRRKKH-UHTOCBDZSA-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(CCCCCCCC2=CC=C(C=C2)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-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139211) has functional parent α-D-galactose (CHEBI:28061)
N-[8-([1,1'-biphenyl]-4-yl)octanoyl]-1-O-(α-D-galactopyranosyl)phytosphingosine (CHEBI:139211) is a glycophytoceramide (CHEBI:59389)
IUPAC Name
8-([1,1'-biphenyl]-4-yl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]octanamide
Synonyms Sources
1-O-(α-D-galactopyranosyl)-N-[9-([1,1'-biphenyl]-4-yl)octanoyl]phytosphingosine ChEBI
8-([1,1'-biphenyl]-4-yl)-N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}octanamide IUPAC
Manual Xref Database
CA2683681 Patent
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Citations Waiting for Citations Types Sources
18712867 PubMed citation Europe PMC
20616071 PubMed citation Europe PMC
Last Modified
04 December 2017