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CHEBI:180049 - PE(DiMe(9,5)/MonoMe(9,5))

ChEBI IDCHEBI:180049
ChEBI NamePE(DiMe(9,5)/MonoMe(9,5))
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FormulaC44H76NO10P
Net Charge0
Average Mass810.063
Monoisotopic Mass809.52068
SMILESCCCCCc1cc(C)c(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCc2oc(CCCCC)c(C)c2C)COP(=O)(O)OCCN)o1
InChIInChI=1S/C44H76NO10P/c1-6-8-18-24-38-32-35(3)40(53-38)25-20-14-10-13-17-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-16-12-11-15-21-27-42-37(5)36(4)41(55-42)26-19-9-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1
InChIKeyVSNRXIDJMRRTIP-LDLOPFEMSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(DiMe(9,5)/MonoMe(9,5)) (CHEBI:180049) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[9-(3,4-dimethyl-5-pentyluran-2-yl)nonanoyloxy]propan-2-yl] 9-(3-methyl-5-pentyluran-2-yl)nonanoate
Manual XrefsDatabases
HMDB0061515HMDB
59662795ChemSpider