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CHEBI:64905 - C20 sphinganine

Default Structure
ChEBI IDCHEBI:64905
ChEBI NameC20 sphinganine
Stars
ASCII NameC20 sphinganine
DefinitionA 2-aminoicosane-1,3-diol having (2S,3R)-configuration.
Last Modified26 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H43NO2
Net Charge0
Average Mass329.569
Monoisotopic Mass329.32938
SMILESCCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1
InChIKeyUFMHYBVQZSPWSS-VQTJNVASSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
C20 sphinganine (CHEBI:64905) has role mouse metabolite (CHEBI:75771)
C20 sphinganine (CHEBI:64905) is a 2-aminoicosane-1,3-diol (CHEBI:64907)
C20 sphinganine (CHEBI:64905) is conjugate base of C20 sphinganine(1+) (CHEBI:64887)
Incoming Relation(s)
N-acylicosasphinganine-1-phosphocholine (CHEBI:82900) has functional parent C20 sphinganine (CHEBI:64905)
N-acylicosasphinganine-1-phosphoethanolamine (CHEBI:83755) has functional parent C20 sphinganine (CHEBI:64905)
N-acylicosasphinganine-1-phosphoethanolamine zwitterion (CHEBI:82908) has functional parent C20 sphinganine (CHEBI:64905)
C20 3-dehydrosphinganine (CHEBI:65118) has functional parent C20 sphinganine (CHEBI:64905)
C20 dihydroceramide (CHEBI:71984) has functional parent C20 sphinganine (CHEBI:64905)
C20 phytosphingosine (CHEBI:64910) has functional parent C20 sphinganine (CHEBI:64905)
C20 sphinganine 1-phosphate (CHEBI:64917) has functional parent C20 sphinganine (CHEBI:64905)
inositol phosphomannosylinositol-1-phospho-C20-dihydroceramide (CHEBI:139532) has functional parent C20 sphinganine (CHEBI:64905)
β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-N-acylicosasphinganine (CHEBI:82990) has functional parent C20 sphinganine (CHEBI:64905)
C20 sphinganine(1+) (CHEBI:64887) is conjugate acid of C20 sphinganine (CHEBI:64905)
IUPAC Name 
(2S,3R)-2-aminoicosane-1,3-diol
Synonyms  Source
d20:0ChEBI
DHS (C20)MetaCyc
dihydrosphingosine (C20)MetaCyc
eicosadihydrosphingosineMetaCyc
eicosasphinganineMetaCyc
erythro-D-sphinganine (C20)MetaCyc
Manual XrefsDatabases
CPD-13611MetaCyc
Registry NumbersSources
Reaxys:6091539Reaxys
CAS:24006-62-0Reaxys
Citations