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CHEBI:70828 - 3-dehydro-15-methylhexadecasphinganine(1+)

ChEBI IDCHEBI:70828
ChEBI Name3-dehydro-15-methylhexadecasphinganine(1+)
Stars
DefinitionA cationic sphingoid that is the conjugate acid of 3-dehydro-15-methylhexadecasphinganine, obtained by protonation of the amino group; major species at pH 7.3.
Last Modified2 April 2015
SubmitterAlan Bridge
DownloadsMolfile
FormulaC17H36NO2
Net Charge+1
Average Mass286.480
Monoisotopic Mass286.27406
SMILESCC(C)CCCCCCCCCCCC(=O)[C@@H]([NH3+])CO
InChIInChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-16,19H,3-14,18H2,1-2H3/p+1/t16-/m0/s1
InChIKeyRGDAORVPVAQJHT-INIZCTEOSA-O
ChEBI Ontology
Outgoing Relation(s)
3-dehydro-15-methylhexadecasphinganine(1+) (CHEBI:70828) is a 3-dehydrosphingoid base(1+) (CHEBI:84411)
3-dehydro-15-methylhexadecasphinganine(1+) (CHEBI:70828) is conjugate acid of 3-dehydro-15-methylhexadecasphinganine (CHEBI:70843)
Incoming Relation(s)
3-dehydro-15-methylhexadecasphinganine (CHEBI:70843) is conjugate base of 3-dehydro-15-methylhexadecasphinganine(1+) (CHEBI:70828)
IUPAC Name 
(2S)-1-hydroxy-15-methyl-3-oxohexadecan-2-aminium
Synonyms  Source
3-keto-15-methylhexadecasphinganine(1+)SUBMITTER
3-oxo-15-methylhexadecasphinganine(1+)ChEBI
UniProt Name  Source
3-dehydro-15-methylhexadecasphinganineUniProt