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CHEBI:46961 - phytosphingosine

Default Structure
ChEBI IDCHEBI:46961
ChEBI Namephytosphingosine
Stars
Secondary ChEBI IDsCHEBI:26123, CHEBI:31999
Last Modified9 December 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H39NO3
Net Charge0
Average Mass317.514
Monoisotopic Mass317.29299
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
InChIKeyAERBNCYCJBRYDG-KSZLIROESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
phytosphingosine (CHEBI:46961) has functional parent N-acyl-β-D-galactosylphytosphingosine (CHEBI:157775)
phytosphingosine (CHEBI:46961) has functional parent sphinganine (CHEBI:16566)
phytosphingosine (CHEBI:46961) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
phytosphingosine (CHEBI:46961) has role mouse metabolite (CHEBI:75771)
phytosphingosine (CHEBI:46961) is a amino alcohol (CHEBI:22478)
phytosphingosine (CHEBI:46961) is a sphingoid (CHEBI:35785)
phytosphingosine (CHEBI:46961) is a triol (CHEBI:27136)
phytosphingosine (CHEBI:46961) is conjugate base of phytosphingosine(1+) (CHEBI:64124)
Incoming Relation(s)
C-glycosylphytoceramide (CHEBI:60910) has functional parent phytosphingosine (CHEBI:46961)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) (CHEBI:139522) has functional parent phytosphingosine (CHEBI:46961)
N-acylphytosphingosine (CHEBI:31998) has functional parent phytosphingosine (CHEBI:46961)
N-acylphytosphingosine 1-phosphate (CHEBI:134540) has functional parent phytosphingosine (CHEBI:46961)
N-acylphytosphingosine-1-phosphocholine (CHEBI:78651) has functional parent phytosphingosine (CHEBI:46961)
N-hexadecanoylphytosphingosine-1-phosphocholine (CHEBI:78650) has functional parent phytosphingosine (CHEBI:46961)
N-hexadecanoylphytosphingosine-1-phosphoethanolamine (CHEBI:82737) has functional parent phytosphingosine (CHEBI:46961)
1-O-(6-deoxy-6-benzamido-α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine (CHEBI:73560) has functional parent phytosphingosine (CHEBI:46961)
1-O-{6-deoxy-6-[N'-(1-naphthyl)ureido]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine (CHEBI:73554) has functional parent phytosphingosine (CHEBI:46961)
inositol phosphomannosylinositol-1-phospho-N-acylphytosphingosine (CHEBI:139529) has functional parent phytosphingosine (CHEBI:46961)
Ins-1-P-Cer(t18:0/2-OH-26:0) (CHEBI:53004) has functional parent phytosphingosine (CHEBI:46961)
phytosphingosine 1-phosphate (CHEBI:46970) has functional parent phytosphingosine (CHEBI:46961)
β-D-glucosyl-(1↔1')-N-acylphytosphingosine (CHEBI:82923) has functional parent phytosphingosine (CHEBI:46961)
phytosphingosine(1+) (CHEBI:64124) is conjugate acid of phytosphingosine (CHEBI:46961)
IUPAC Name 
(2S,3S,4R)-2-aminooctadecane-1,3,4-triol
Synonyms  Source
4-D-HydroxysphinganineKEGG COMPOUND
PhytosphingosineKEGG COMPOUND
Manual XrefsDatabases
C12144KEGG COMPOUND
LMSP01030001LIPID MAPS
Registry NumbersSources
Beilstein:1725301Beilstein
CAS:554-62-1ChemIDplus
CAS:554-62-1KEGG COMPOUND