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CHEBI:170504 - PA(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:170504
ChEBI NamePA(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H75O8P
Net Charge0
Average Mass751.039
Monoisotopic Mass750.51996
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C43H75O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,41H,3-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3,(H2,46,47,48)/b14-12-,19-17-,20-18-,26-24-,32-30-/t41-/m1/s1
InChIKeyCBPXLXSPDFLFBL-NRYPLOERSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:170504) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0115106HMDB
LMGP10010548LIPID MAPS
74876848ChemSpider