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CHEBI:176999 - PA(20:3(8Z,11Z,14Z)/21:0)

ChEBI IDCHEBI:176999
ChEBI NamePA(20:3(8Z,11Z,14Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H81O8P
Net Charge0
Average Mass769.098
Monoisotopic Mass768.56691
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H81O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,42H,3-11,13,15-17,19,21-23,25,27-41H2,1-2H3,(H2,47,48,49)/b14-12-,20-18-,26-24-/t42-/m1/s1
InChIKeySPMGTTAZBQWIGQ-NDLPAHADSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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(8Z,11Z,14Z)/21:0) (CHEBI:176999) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-phosphonooxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP10010612LIPID MAPS