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CHEBI:79069 - N-hexanoylsphingosine-1-phosphoethanolamine

ChEBI IDCHEBI:79069
ChEBI NameN-hexanoylsphingosine-1-phosphoethanolamine
Stars
ASCII NameN-hexanoylsphingosine-1-phosphoethanolamine
DefinitionAn N-acylsphingosine-1-phosphoethanolamine in which the N-acyl group is specified as hexanoyl.
Last Modified3 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC26H53N2O6P
Net Charge0
Average Mass520.692
Monoisotopic Mass520.36412
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCC
InChIInChI=1S/C26H53N2O6P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-25(29)24(28-26(30)20-17-6-4-2)23-34-35(31,32)33-22-21-27/h18-19,24-25,29H,3-17,20-23,27H2,1-2H3,(H,28,30)(H,31,32)/b19-18+/t24-,25+/m0/s1
InChIKeyPRZFATFRGRQGHI-WHUSYDGZSA-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-hexanoylsphingosine-1-phosphoethanolamine (CHEBI:79069) has functional parent hexanoic acid (CHEBI:30776)
N-hexanoylsphingosine-1-phosphoethanolamine (CHEBI:79069) is a N-acylsphingosine 1-phosphoethanolamine (CHEBI:28943)
N-hexanoylsphingosine-1-phosphoethanolamine (CHEBI:79069) is tautomer of N-hexanoylsphingosine-1-phosphoethanolamine zwitterion (CHEBI:78253)
Incoming Relation(s)
N-hexanoylsphingosine-1-phosphoethanolamine zwitterion (CHEBI:78253) is tautomer of N-hexanoylsphingosine-1-phosphoethanolamine (CHEBI:79069)
IUPAC Name 
2-aminoethyl (2S,3R,4E)-2-(hexanoylamino)-3-hydroxyoctadec-4-en-1-yl hydrogen phosphate
Synonym  Source
N-hexanoylsphing-4-enine-1-phosphoethanolamineChEBI