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CHEBI:180046 - PE(MonoMe(9,5)/DiMe(11,3))

ChEBI IDCHEBI:180046
ChEBI NamePE(MonoMe(9,5)/DiMe(11,3))
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FormulaC44H76NO10P
Net Charge0
Average Mass810.063
Monoisotopic Mass809.52068
SMILESCCCCCc1cc(C)c(CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCc2oc(CCC)c(C)c2C)o1
InChIInChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-13-14-17-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-18-12-10-9-11-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1
InChIKeyBLANZBPGDGJZGJ-LDLOPFEMSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(MonoMe(9,5)/DiMe(11,3)) (CHEBI:180046) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[9-(3-methyl-5-pentyluran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-propyluran-2-yl)undecanoate
Manual XrefsDatabases
HMDB0061543HMDB
59664314ChemSpider