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CHEBI:184789 - PA(20:4(5Z,8Z,11Z,14Z)/22:0)

ChEBI IDCHEBI:184789
ChEBI NamePA(20:4(5Z,8Z,11Z,14Z)/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H81O8P
Net Charge0
Average Mass781.109
Monoisotopic Mass780.56691
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H81O8P/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/h12,14,18,20,25,27,31,33,43H,3-11,13,15-17,19,21-24,26,28-30,32,34-42H2,1-2H3,(H2,48,49,50)/b14-12-,20-18-,27-25-,33-31-/t43-/m1/s1
InChIKeyHBVMTCTVYSYQHG-FKKIPMTRSA-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(20:4(5Z,8Z,11Z,14Z)/22:0) (CHEBI:184789) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] docosanoate
Manual XrefsDatabases
HMDB0115162HMDB
74876902ChemSpider
LMGP10010642LIPID MAPS