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CHEBI:185543 - Pa(22:6(4z,7z,10z,13z,16z,19z)/18:4(6z,9z,12z,15z))

ChEBI IDCHEBI:185543
ChEBI NamePa(22:6(4z,7z,10z,13z,16z,19z)/18:4(6z,9z,12z,15z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H65O8P
Net Charge0
Average Mass740.959
Monoisotopic Mass740.44171
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)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C43H65O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,25,27-28,30-31,33,41H,3-4,9-10,15-16,20,24,26,29,32,34-40H2,1-2H3,(H2,46,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,27-25-,30-28-,33-31-/t41-/m1/s1
InChIKeyYLFOGTHIWDVYDD-TYERMCGNSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
Pa(22:6(4z,7z,10z,13z,16z,19z)/18:4(6z,9z,12z,15z)) (CHEBI:185543) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
LMGP10010831LIPID MAPS
74877152ChemSpider
HMDB0115412HMDB