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CHEBI:188030 - PE(20:3(8Z,11Z,14Z)/19:1(9Z))

ChEBI IDCHEBI:188030
ChEBI NamePE(20:3(8Z,11Z,14Z)/19:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChIInChI=1S/C44H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,42H,3-10,12,14-16,18,21,25-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-,22-20-,24-23-/t42-/m1/s1
InChIKeyIWDHLFUMRWIRQI-ZQMGPOBSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
PE(20:3(8Z,11Z,14Z)/19:1(9Z)) (CHEBI:188030) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual XrefsDatabases
113375738ChemSpider
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