EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90165 - N-hexanoylphytosphingosine 1-phosphate

ChEBI IDCHEBI:90165
ChEBI NameN-hexanoylphytosphingosine 1-phosphate
Stars
ASCII NameN-hexanoylphytosphingosine 1-phosphate
DefinitionA ceramide 1-phosphate in which the sphingoid and acyl components are specified as phytosphingosine and hexanoyl respctively.
Last Modified15 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC24H50NO7P
Net Charge0
Average Mass495.638
Monoisotopic Mass495.33249
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](COP(=O)(O)O)NC(=O)CCCCC
InChIInChI=1S/C24H50NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-17-18-22(26)24(28)21(20-32-33(29,30)31)25-23(27)19-16-6-4-2/h21-22,24,26,28H,3-20H2,1-2H3,(H,25,27)(H2,29,30,31)/t21-,22+,24-/m0/s1
InChIKeyUDPBJAJIZZTTJS-ZDXQCDESSA-N
ChEBI Ontology
Outgoing Relation(s)
N-hexanoylphytosphingosine 1-phosphate (CHEBI:90165) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylphytosphingosine 1-phosphate (CHEBI:90165) is a N-acylphytosphingosine 1-phosphate (CHEBI:134540)
N-hexanoylphytosphingosine 1-phosphate (CHEBI:90165) is conjugate acid of N-hexanoylphytosphingosine 1-phosphate(2−) (CHEBI:88096)
Incoming Relation(s)
N-hexanoylphytosphingosine 1-phosphate(2−) (CHEBI:88096) is conjugate base of N-hexanoylphytosphingosine 1-phosphate (CHEBI:90165)
IUPAC Name 
(2S,3S,4R)-2-(hexanoylamino)-3,4-dihydroxyoctadecyl dihydrogen phosphate
Synonyms  Source
N-hexanoyl-4-hydroxysphinganine 1-phosphateChEBI
CerP(t18:0/6:0)ChEBI