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CHEBI:191110 - Pe(18:1/14-hdohe)

ChEBI IDCHEBI:191110
ChEBI NamePe(18:1/14-hdohe)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76NO9P
Net Charge0
Average Mass806.075
Monoisotopic Mass805.52577
SMILESCC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C45H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-21-24-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-25-22-19-18-20-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,14-15,18-19,23,25-27,29-31,35,42-43,47H,3-5,7,9-13,16-17,20-22,24,28,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,15-14-,19-18-,27-23-,29-25-,30-26-,35-31+
InChIKeyICJGHZQONDYIPI-LEASTBJSSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Pe(18:1/14-hdohe) (CHEBI:191110) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate