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CHEBI:85376 - N-octanoylsphingosine 1-phosphate(2−)

ChEBI IDCHEBI:85376
ChEBI NameN-octanoylsphingosine 1-phosphate(2−)
Stars
ASCII NameN-octanoylsphingosine 1-phosphate(2-)
DefinitionAn N-acylsphingosine 1-phosphate(2−) in which the N-acyl group is specified as octanoyl; major species at pH 7.3.
Last Modified26 May 2015
Submitterlaimo
DownloadsMolfile
FormulaC26H50NO6P
Net Charge-2
Average Mass503.661
Monoisotopic Mass503.33867
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)/p-2/b21-19+/t24-,25+/m0/s1
InChIKeyVSSNYUXSRXINIP-WRBRXSDHSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376) is a N-acylsphingosine 1-phosphate(2−) (CHEBI:57674)
N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376) is conjugate base of N-octanoylsphingosine 1-phosphate (CHEBI:85881)
Incoming Relation(s)
N-octanoylsphingosine 1-phosphate (CHEBI:85881) is conjugate acid of N-octanoylsphingosine 1-phosphate(2−) (CHEBI:85376)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl phosphate
Synonyms  Source
Cer-1-P(d18:1/8:0)(2−)SUBMITTER
C8:0-C1P(2−)SUBMITTER
N-octanoylsphing-4-enine 1-phosphate(2−)ChEBI
UniProt Name  Source
N-(octanoyl)-sphing-4-enine-1-phosphateUniProt
Citations