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CHEBI:230665 - pa(22:6(4z,7z,10z,13z,16z,19z)/20:5(5z,8z,11z,14z,17z))

Default Structure
ChEBI IDCHEBI:230665
ChEBI Namepa(22:6(4z,7z,10z,13z,16z,19z)/20:5(5z,8z,11z,14z,17z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H67O8P
Net Charge0
Average Mass766.997
Monoisotopic Mass766.45736
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C45H67O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22,24,26-29,32-35,43H,3-4,9-10,15-16,21,23,25,30-31,36-42H2,1-2H3,(H2,48,49,50)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-,34-32-,35-33-/t43-/m1/s1
InChIKeyHJZMWAMKWAKZAR-NJSWGWQKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
pa(22:6(4z,7z,10z,13z,16z,19z)/20:5(5z,8z,11z,14z,17z)) (CHEBI:230665) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
74877158ChemSpider
HMDB0115418HMDB
LMGP10010839LIPID MAPS