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CHEBI:82732 - N-hexadecanoylsphinganine-1-phosphoethanolamine

ChEBI IDCHEBI:82732
ChEBI NameN-hexadecanoylsphinganine-1-phosphoethanolamine
Stars
ASCII NameN-hexadecanoylsphinganine-1-phosphoethanolamine
DefinitionAn N-acylsphinganine-1-phosphoethanolamine in which the N-acyl group is specified as hexadecanoyl.
Last Modified18 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC36H75N2O6P
Net Charge0
Average Mass662.978
Monoisotopic Mass662.53627
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCCN)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C36H75N2O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)34(33-44-45(41,42)43-32-31-37)38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,39H,3-33,37H2,1-2H3,(H,38,40)(H,41,42)/t34-,35+/m0/s1
InChIKeyBXUACRNRHHRDQP-OIDHKYIRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-hexadecanoylsphinganine-1-phosphoethanolamine (CHEBI:82732) has functional parent hexadecanoic acid (CHEBI:15756)
N-hexadecanoylsphinganine-1-phosphoethanolamine (CHEBI:82732) is a N-acylsphinganine-1-phosphoethanolamine (CHEBI:82734)
N-hexadecanoylsphinganine-1-phosphoethanolamine (CHEBI:82732) is tautomer of N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion (CHEBI:78654)
Incoming Relation(s)
N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion (CHEBI:78654) is tautomer of N-hexadecanoylsphinganine-1-phosphoethanolamine (CHEBI:82732)
IUPAC Name 
2-aminoethyl (2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecyl hydrogen phosphate
Synonyms  Source
N-palmitoyldihydroceramide-1-phosphoethanolamineChEBI
N-palmitoylsphinganine-1-phosphoethanolamineChEBI
N-hexadecanoyldihydroceramide-1-phosphoethanolamineChEBI
2-aminoethyl (2S,3R)-3-hydroxy-2-(palmitoylamino)octadecyl hydrogen phosphateIUPAC