EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79280 - 1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine

ChEBI IDCHEBI:79280
ChEBI Name1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine
Stars
ASCII Name1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine
DefinitionA 2-acyl-1-alkyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and acetyl respectively.
Last Modified18 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC23H48NO7P
Net Charge0
Average Mass481.611
Monoisotopic Mass481.31684
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(C)=O
InChIInChI=1S/C23H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-20-23(31-22(2)25)21-30-32(26,27)29-19-17-24/h23H,3-21,24H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyLEBRETLBLINJDM-HSZRJFAPSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine (CHEBI:79280) has functional parent acetic acid (CHEBI:15366)
1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine (CHEBI:79280) is a 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:36712)
1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine (CHEBI:79280) is tautomer of 1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78387)
Incoming Relation(s)
1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:78387) is tautomer of 1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine (CHEBI:79280)
IUPAC Name 
(19R)-25-amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl acetate
Synonyms  Source
1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamineChEBI
1-O-palmityl-2-acetyl-sn-glycero-3-phosphoethanolamineChEBI
1-palmityl-2-acetyl-sn-glycero-3-phosphoethanolamineChEBI
PE(O-16:0/2:0)ChEBI