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CHEBI:186780 - PE(12:0/14:1(9Z))

Default Structure
ChEBI IDCHEBI:186780
ChEBI NamePE(12:0/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H60NO8P
Net Charge0
Average Mass605.794
Monoisotopic Mass605.40565
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C31H60NO8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-31(34)40-29(28-39-41(35,36)38-26-25-32)27-37-30(33)23-21-19-17-15-12-10-8-6-4-2/h9,11,29H,3-8,10,12-28,32H2,1-2H3,(H,35,36)/b11-9-/t29-/m1/s1
InChIKeyYKTVMHWVXDZXEQ-HQGHLRICSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PE(12:0/14:1(9Z)) (CHEBI:186780) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
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