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CHEBI:197368 - N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine

Default Structure
ChEBI IDCHEBI:197368
ChEBI NameN-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Stars
DefinitionThis compound belongs to the class of organic compounds known as phosphoethanolamines.
Submitterntejera
DownloadsMolfile
FormulaC39H79N2O6P
Net Charge0
Average Mass703.043
Monoisotopic Mass702.56757
SMILESCCCCCCCCC/C=C/C(O)C(COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H79N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-39(43)41-37(36-47-48(44,45)46-35-34-40)38(42)32-30-28-26-24-12-10-8-6-4-2/h30,32,37-38,42H,3-29,31,33-36,40H2,1-2H3,(H,41,43)(H,44,45)/b32-30+
InChIKeyDAJDHSUNMLBGKS-NHQGMKOOSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - MetaboLights (MTBLS7872)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS7872)
ChEBI Ontology
Outgoing Relation(s)
N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:197368) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(tricosanoylamino)tetradec-4-enyl] hydrogen phosphate
Synonyms  Source
PE-Cer(d14:1/23:0)SUBMITTER
PE-Cer(d14:1(4E)/23:0)SUBMITTER
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