EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180045 - PE(DiMe(11,3)/MonoMe(9,5))

ChEBI IDCHEBI:180045
ChEBI NamePE(DiMe(11,3)/MonoMe(9,5))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76NO10P
Net Charge0
Average Mass810.063
Monoisotopic Mass809.52068
SMILESCCCCCc1cc(C)c(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCc2oc(CCC)c(C)c2C)COP(=O)(O)OCCN)o1
InChIInChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-13-14-18-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-17-12-10-9-11-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1
InChIKeyRFQITZJCQHFFOS-LDLOPFEMSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(DiMe(11,3)/MonoMe(9,5)) (CHEBI:180045) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3-methyl-5-pentyluran-2-yl)nonanoyloxy]propyl] 11-(3,4-dimethyl-5-propyluran-2-yl)undecanoate
Manual XrefsDatabases
HMDB0061479HMDB
59662759ChemSpider