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CHEBI:85881 - N-octanoylsphingosine 1-phosphate

ChEBI IDCHEBI:85881
ChEBI NameN-octanoylsphingosine 1-phosphate
Stars
ASCII NameN-octanoylsphingosine 1-phosphate
DefinitionAn N-acylsphingosine 1-phosphate in which the N-acyl group is specified as octanoyl.
Last Modified26 May 2015
SubmitterSteve
DownloadsMolfile
FormulaC26H52NO6P
Net Charge0
Average Mass505.677
Monoisotopic Mass505.35323
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O)NC(=O)CCCCCCC
InChIInChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1
InChIKeyVSSNYUXSRXINIP-WRBRXSDHSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-octanoylsphingosine 1-phosphate (CHEBI:85881) has functional parent octanoic acid (CHEBI:28837)
N-octanoylsphingosine 1-phosphate (CHEBI:85881) is a N-acylsphingosine 1-phosphate (CHEBI:16197)
N-octanoylsphingosine 1-phosphate (CHEBI:85881) is conjugate acid of N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376)
Incoming Relation(s)
N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376) is conjugate base of N-octanoylsphingosine 1-phosphate (CHEBI:85881)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
Synonyms  Source
N-octanoylsphing-4-enine 1-phosphateChEBI
CerP(d18:1/8:0)ChEBI
Registry NumbersSources
Reaxys:7051332Reaxys