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CHEBI:178466 - PE(21:0/16:1(9Z))

ChEBI IDCHEBI:178466
ChEBI NamePE(21:0/16:1(9Z))
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FormulaC42H82NO8P
Net Charge0
Average Mass760.091
Monoisotopic Mass759.57781
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C42H82NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h14,16,40H,3-13,15,17-39,43H2,1-2H3,(H,46,47)/b16-14-/t40-/m1/s1
InChIKeyJKXFBHWSAMMVLH-HDIMKZOVSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(21:0/16:1(9Z)) (CHEBI:178466) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] henicosanoate
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