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CHEBI:78654 - N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion

ChEBI IDCHEBI:78654
ChEBI NameN-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion
Stars
ASCII NameN-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion
DefinitionAn N-acylsphinganine-1-phosphoethanolamine zwitterion in which the N-acyl group is specified as hexadecanoyl.
Last Modified18 August 2014
Submitternhn
DownloadsMolfile
FormulaC36H75N2O6P
Net Charge0
Average Mass662.978
Monoisotopic Mass662.53627
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[NH3+])[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 zwitterion (CHEBI:78654) has functional parent N-hexadecanoylsphinganine (CHEBI:67042)
N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion (CHEBI:78654) is a N-acylsphinganine-1-phosphoethanolamine zwitterion (CHEBI:78655)
N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion (CHEBI:78654) is tautomer of N-hexadecanoylsphinganine-1-phosphoethanolamine (CHEBI:82732)
Incoming Relation(s)
N-hexadecanoylsphinganine-1-phosphoethanolamine (CHEBI:82732) is tautomer of N-hexadecanoylsphinganine-1-phosphoethanolamine zwitterion (CHEBI:78654)
IUPAC Name 
2-azaniumylethyl (2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadecyl phosphate
Synonyms  Source
N-hexadecanoyldihydroceramide-1-phosphoethanolamine zwitterionSUBMITTER
N-palmitoylsphinganine-1-phosphoethanolamine zwitterionSUBMITTER
N-palmitoyldihydroceramide-1-phosphoethanolamine zwitterionChEBI
2-azaniumylethyl (2S,3R)-3-hydroxy-2-(palmitoylamino)octadecyl phosphateIUPAC
UniProt Name  Source
N-hexadecanoyl-sphinganine-1-phosphoethanolamineUniProt
Citations