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CHEBI:180047 - PE(MonoMe(9,5)/DiMe(9,5))

ChEBI IDCHEBI:180047
ChEBI NamePE(MonoMe(9,5)/DiMe(9,5))
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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)CCCCCCCCc2oc(CCCCC)c(C)c2C)o1
InChIInChI=1S/C44H76NO10P/c1-6-8-18-24-38-32-35(3)40(53-38)25-20-14-10-12-16-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-17-13-11-15-21-27-42-37(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
InChIKeyOVMQJFPBAHULAB-LDLOPFEMSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(MonoMe(9,5)/DiMe(9,5)) (CHEBI:180047) 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-pentyluran-2-yl)nonanoyloxy]propyl] 9-(3-methyl-5-pentyluran-2-yl)nonanoate
Manual XrefsDatabases
HMDB0061547HMDB
59664318ChemSpider