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CHEBI:58299 - 3-dehydrosphinganinium(1+)

ChEBI IDCHEBI:58299
ChEBI Name3-dehydrosphinganinium(1+)
Stars
DefinitionA cationic sphingoid that is the conjugate acid of 3-dehydrosphinganine; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC18H38NO2
Net Charge+1
Average Mass300.507
Monoisotopic Mass300.28971
SMILESCCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/p+1/t17-/m0/s1
InChIKeyKBUNOSOGGAARKZ-KRWDZBQOSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
3-dehydrosphinganinium(1+) (CHEBI:58299) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-dehydrosphinganinium(1+) (CHEBI:58299) has role human metabolite (CHEBI:77746)
3-dehydrosphinganinium(1+) (CHEBI:58299) is a 3-dehydrosphingoid base(1+) (CHEBI:84411)
3-dehydrosphinganinium(1+) (CHEBI:58299) is conjugate acid of 3-dehydrosphinganine (CHEBI:17862)
Incoming Relation(s)
N-acyl-3-ketodihydrosphingosine (CHEBI:189535) has functional parent 3-dehydrosphinganinium(1+) (CHEBI:58299)
N-palmitoyl-3-ketodihydrosphingosine (CHEBI:189534) has functional parent 3-dehydrosphinganinium(1+) (CHEBI:58299)
3-dehydrosphinganine (CHEBI:17862) is conjugate base of 3-dehydrosphinganinium(1+) (CHEBI:58299)
IUPAC Name 
(2S)-1-hydroxy-3-oxooctadecan-2-aminium
Synonyms  Source
3-dehydrosphinganinium cationChEBI
3-dehydrosphinganiniumChEBI
UniProt Name  Source
3-oxosphinganineUniProt