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CHEBI:170201 - PA(16:0/20:2(11Z,14Z))

ChEBI IDCHEBI:170201
ChEBI NamePA(16:0/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H73O8P
Net Charge0
Average Mass700.979
Monoisotopic Mass700.50431
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36H2,1-2H3,(H2,42,43,44)/b13-11-,18-17-/t37-/m1/s1
InChIKeyKHDXVACVOXQZSJ-NHCUFCNUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) 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(16:0/20:2(11Z,14Z)) (CHEBI:170201) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
HMDB0115510HMDB
LMGP10010195LIPID MAPS
74877248ChemSpider