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CHEBI:182029 - PE(16:1(9Z)/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:182029
ChEBI NamePE(16:1(9Z)/18:3(9Z,12Z,15Z))
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FormulaC39H70NO8P
Net Charge0
Average Mass711.962
Monoisotopic Mass711.48390
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,37H,3-4,6,8-10,12,15,19-36,40H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-14-,18-17-/t37-/m1/s1
InChIKeyBMBUWKNHXZNMFT-BVEGXQDJSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(16:1(9Z)/18:3(9Z,12Z,15Z)) (CHEBI:182029) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
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