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CHEBI:180868 - PE(18:0/P-18:1(11Z))

ChEBI IDCHEBI:180868
ChEBI NamePE(18:0/P-18:1(11Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H80NO7P
Net Charge0
Average Mass730.065
Monoisotopic Mass729.56724
SMILESCCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36,40H,3-12,14,16-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,36-33-/t40-/m1/s1
InChIKeyXJRBLUARQNXNQS-CSASKLPHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PE(18:0/P-18:1(11Z)) (CHEBI:180868) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] octadecanoate
Manual XrefsDatabases
HMDB0009017HMDB
24768490ChemSpider