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CHEBI:170233 - PE(16:1(9Z)/18:0)

ChEBI IDCHEBI:170233
ChEBI NamePE(16:1(9Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H76NO8P
Net Charge0
Average Mass718.010
Monoisotopic Mass717.53086
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C39H76NO8P/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/h14,16,37H,3-13,15,17-36,40H2,1-2H3,(H,43,44)/b16-14-/t37-/m1/s1
InChIKeyLUTADWBBHJXPTH-UHGNNPBBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
PE(16:1(9Z)/18:0) (CHEBI:170233) 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] octadecanoate
Manual XrefsDatabases
LMGP02010524LIPID MAPS
HMDB0008958HMDB
24768444ChemSpider