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CHEBI:189953 - PA(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:189953
ChEBI NamePA(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H73O8P
Net Charge0
Average Mass773.045
Monoisotopic Mass772.50431
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H73O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24-25,27-28,30-31,33-34,36,43H,3-10,12,14-16,21,23,26,29,32,35,37-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-,20-18-,24-22-,27-25-,30-28-,33-31-,36-34-/t43-/m1/s1
InChIKeyVYWOATBGDDWZRN-BREMWEBISA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:189953) is a phosphatidic acid (CHEBI:16337)
IUPAC Name 
[(2R)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-phosphonooxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual XrefsDatabases
74876882ChemSpider
HMDB0115140HMDB