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CHEBI:65073 - C20 3-dehydrosphinganine(1+)

Default Structure
ChEBI IDCHEBI:65073
ChEBI NameC20 3-dehydrosphinganine(1+)
Stars
ASCII NameC20 3-dehydrosphinganine(1+)
DefinitionA cationic sphingoid that is the conjugate acid of C20 3-dehydrosphinganine, obtained by protonation of the primary amino function; major species at pH 7.3.
Last Modified2 April 2015
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H42NO2
Net Charge+1
Average Mass328.561
Monoisotopic Mass328.32101
SMILESCCCCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19,22H,2-18,21H2,1H3/p+1/t19-/m0/s1
InChIKeyFVOLNXKBISLPQY-IBGZPJMESA-O
ChEBI Ontology
Outgoing Relation(s)
C20 3-dehydrosphinganine(1+) (CHEBI:65073) is a 3-dehydrosphingoid base(1+) (CHEBI:84411)
C20 3-dehydrosphinganine(1+) (CHEBI:65073) is conjugate acid of C20 3-dehydrosphinganine (CHEBI:65118)
Incoming Relation(s)
C20 3-dehydrosphinganine (CHEBI:65118) is conjugate base of C20 3-dehydrosphinganine(1+) (CHEBI:65073)
IUPAC Name 
(2S)-1-hydroxy-3-oxoicosan-2-aminium
Synonyms  Source
(2S)-1-hydroxy-3-oxoeicosan-2-aminiumChEBI
3-dehydroeicosadihydrosphingosine(1+)ChEBI
3-dehydroeicosasphinganine(1+)ChEBI
3-dehydro-D-sphinganine (C20)(1+)ChEBI
3-ketodihydrosphinganine (C20)(1+)ChEBI
C20 3-dehydrosphinganiniumChEBI
UniProt Name  Source
3-oxoeicosasphinganineUniProt
Manual XrefsDatabases
CPD-13610MetaCyc