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CHEBI:190175 - PE(22:2(13Z,16Z)/14:1(9Z))

ChEBI IDCHEBI:190175
ChEBI NamePE(22:2(13Z,16Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H76NO8P
Net Charge0
Average Mass742.032
Monoisotopic Mass741.53086
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-23-14-12-10-8-6-4-2/h10-13,16-17,39H,3-9,14-15,18-38,42H2,1-2H3,(H,45,46)/b12-10-,13-11-,17-16-/t39-/m1/s1
InChIKeyNDFYJHAUVLKSLS-UUYHJMQVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
PE(22:2(13Z,16Z)/14:1(9Z)) (CHEBI:190175) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0009548HMDB
24768992ChemSpider
LMGP02011074LIPID MAPS