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CHEBI:180052 - PE(MonoMe(11,5)/DiMe(9,3))

ChEBI IDCHEBI:180052
ChEBI NamePE(MonoMe(11,5)/DiMe(9,3))
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FormulaC44H76NO10P
Net Charge0
Average Mass810.063
Monoisotopic Mass809.52068
SMILESCCCCCc1cc(C)c(CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)o1
InChIInChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-11-9-10-12-17-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-18-14-13-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1
InChIKeyPEJQCWSFWGGXSW-LDLOPFEMSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(MonoMe(11,5)/DiMe(9,3)) (CHEBI:180052) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3,4-dimethyl-5-propyluran-2-yl)nonanoyloxy]propyl] 11-(3-methyl-5-pentyluran-2-yl)undecanoate
Manual XrefsDatabases
59664299ChemSpider
HMDB0061528HMDB