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CHEBI:171989 - PE(MonoMe(11,5)/DiMe(11,5))

Default Structure
ChEBI IDCHEBI:171989
ChEBI NamePE(MonoMe(11,5)/DiMe(11,5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H84NO10P
Net Charge0
Average Mass866.171
Monoisotopic Mass865.58328
SMILESCCCCCc1cc(C)c(CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)o1
InChIInChI=1S/C48H84NO10P/c1-6-8-22-28-42-36-39(3)44(57-42)29-24-18-14-10-12-16-20-26-32-47(50)54-37-43(38-56-60(52,53)55-35-34-49)58-48(51)33-27-21-17-13-11-15-19-25-31-46-41(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
InChIKeyQWURUWOAGXSLFG-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(MonoMe(11,5)/DiMe(11,5)) (CHEBI:171989) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]propyl] 11-(3-methyl-5-pentyluran-2-yl)undecanoate
Manual XrefsDatabases
59662806ChemSpider
HMDB0061526HMDB