CHEBI:82732 - N-hexadecanoylsphinganine-1-phosphoethanolamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-hexadecanoylsphinganine-1-phosphoethanolamine
ChEBI ID CHEBI:82732
ChEBI ASCII Name N-hexadecanoylsphinganine-1-phosphoethanolamine
Definition An N-acylsphinganine-1-phosphoethanolamine in which the N-acyl group is specified as hexadecanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H75N2O6P
Net Charge 0
Average Mass 662.96430
Monoisotopic Mass 662.53628
InChI InChI=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
InChIKey BXUACRNRHHRDQP-OIDHKYIRSA-N
SMILES CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCCN)NC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing 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 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 Sources
2-aminoethyl (2S,3R)-3-hydroxy-2-(palmitoylamino)octadecyl hydrogen phosphate IUPAC
N-hexadecanoyldihydroceramide-1-phosphoethanolamine ChEBI
N-palmitoyldihydroceramide-1-phosphoethanolamine ChEBI
N-palmitoylsphinganine-1-phosphoethanolamine ChEBI
Last Modified
18 August 2014