EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170492 - PA(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:170492
ChEBI NamePA(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H75O8P
Net Charge0
Average Mass751.039
Monoisotopic Mass750.51996
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)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/h11-14,17-20,24,26,41H,3-10,15-16,21-23,25,27-40H2,1-2H3,(H2,46,47,48)/b13-11-,14-12-,19-17-,20-18-,26-24-/t41-/m1/s1
InChIKeyVJOUDZQDTXOKGX-JVLAKAHBSA-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(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)) (CHEBI:170492) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-phosphonooxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
HMDB0115547HMDB
74877285ChemSpider
LMGP10010578LIPID MAPS