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CHEBI:192313 - PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)

ChEBI IDCHEBI:192313
ChEBI NamePE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72NO8P
Net Charge0
Average Mass738.000
Monoisotopic Mass737.49955
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C41H72NO8P/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/h11,13,16-17,19-20,22,24,27,29,39H,3-10,12,14-15,18,21,23,25-26,28,30-38,42H2,1-2H3,(H,45,46)/b13-11-,17-16-,20-19-,24-22-,29-27-/t39-/m1/s1
InChIKeyIHWFKTNVBRSXIE-NVMVZPSNSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0) (CHEBI:192313) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
HMDB0009613HMDB
24769057ChemSpider