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CHEBI:171991 - PE(DiMe(11,5)/MonoMe(11,5))

ChEBI IDCHEBI:171991
ChEBI NamePE(DiMe(11,5)/MonoMe(11,5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO10P
Net Charge0
Average Mass866.171
Monoisotopic Mass865.58328
SMILESCCCCCc1cc(C)c(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)COP(=O)(O)OCCN)o1
InChIInChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-14-10-13-17-21-27-33-48(51)58-43(38-56-60(52,53)55-35-34-49)37-54-47(50)32-26-20-16-12-11-15-19-25-31-46-41(5)40(4)45(59-46)30-23-9-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1
InChIKeyPYFCFCHMLIUMLO-VZUYHUTRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
PE(DiMe(11,5)/MonoMe(11,5)) (CHEBI:171991) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]propan-2-yl] 11-(3-methyl-5-pentyluran-2-yl)undecanoate
Manual XrefsDatabases
59662766ChemSpider
HMDB0061486HMDB