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CHEBI:170312 - PA(18:3(6Z,9Z,12Z)/20:1(11Z))

ChEBI IDCHEBI:170312
ChEBI NamePA(18:3(6Z,9Z,12Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H73O8P
Net Charge0
Average Mass725.001
Monoisotopic Mass724.50431
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C41H73O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,39H,3-11,13,15-16,20,22-24,26,28-38H2,1-2H3,(H2,44,45,46)/b14-12-,19-17-,21-18-,27-25-/t39-/m1/s1
InChIKeyGEOHJZBAHSLPMG-KUCGYZDNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;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(18:3(6Z,9Z,12Z)/20:1(11Z)) (CHEBI:170312) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0114986HMDB
74876732ChemSpider
LMGP10010384LIPID MAPS