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CHEBI:170285 - PA(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)

ChEBI IDCHEBI:170285
ChEBI NamePA(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H71O8P
Net Charge0
Average Mass722.985
Monoisotopic Mass722.48866
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H71O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,39H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-38H2,1-2H3,(H2,44,45,46)/b7-5-,13-11-,19-17-,23-22-,29-27-/t39-/m1/s1
InChIKeyOMRXVRGTRTTZCM-XAIRRBMSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) 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(20:5(5Z,8Z,11Z,14Z,17Z)/18:0) (CHEBI:170285) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP10010658LIPID MAPS
HMDB0116704HMDB
74878416ChemSpider