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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

ChEBI Ontology
IUPAC Name 
(2S)-1-hydroxy-3-oxooctadecan-2-aminium
Synonyms  Source
3-dehydrosphinganinium cationChEBI
3-dehydrosphinganiniumChEBI
UniProt Name  Source
3-oxosphinganineUniProt