CHEBI:139170 - 1-O-(α-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine

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ChEBI Name 1-O-(α-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine
ChEBI ID CHEBI:139170
ChEBI ASCII Name 1-O-(alpha-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine
Definition A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and a 25-phenylpentacosanoyl group attached to the nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C55H101NO9
Net Charge 0
Average Mass 920.394
Monoisotopic Mass 919.74763
InChI InChI=1S/C55H101NO9/c1-2-3-4-5-6-7-8-22-25-28-31-37-42-48(58)51(60)47(45-64-55-54(63)53(62)52(61)49(44-57)65-55)56-50(59)43-38-32-29-26-23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27-30-34-39-46-40-35-33-36-41-46/h33,35-36,40-41,47-49,51-55,57-58,60-63H,2-32,34,37-39,42-45H2,1H3,(H,56,59)/t47-,48+,49+,51-,52-,53-,54+,55-/m0/s1
InChIKey RAHAOVBEMXCOLX-VEDNRHISSA-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(CCCCCCCCCCCCCCCCCCCCCCCCC=2C=CC=CC2)=O
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via N-acylphytosphingosine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-O-(α-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine (CHEBI:139170) has functional parent α-D-galactose (CHEBI:28061)
1-O-(α-D-galactopyranosyl)-N-(25-phenylpentacosanoyl)phytosphingosine (CHEBI:139170) is a glycophytoceramide (CHEBI:59389)
IUPAC Name
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]-25-phenylpentacosanamide
Synonym Source
N-{(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]- 2,3-dihydroxyheptadecyl}-25-phenylpentacosanamide IUPAC
Manual Xref Database
CA2683681 Patent
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Registry Number Type Source
18641324 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20616071 PubMed citation Europe PMC
Last Modified
30 November 2017