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CHEBI:188091 - PE(17:1(9Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:188091
ChEBI NamePE(17:1(9Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H72NO8P
Net Charge0
Average Mass725.989
Monoisotopic Mass725.49955
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C40H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,16-19,23,25,38H,3-10,12,14-15,20-22,24,26-37,41H2,1-2H3,(H,44,45)/b13-11-,18-16-,19-17-,25-23-/t38-/m1/s1
InChIKeyFHBGEAHDFKVQOS-YVMFURLGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PE(17:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:188091) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-heptadec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
113375551ChemSpider
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