EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230601 - pg(13:0/20:1(11z))

Default Structure
ChEBI IDCHEBI:230601
ChEBI Namepg(13:0/20:1(11z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H75O10P
Net Charge0
Average Mass734.993
Monoisotopic Mass734.50979
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C39H75O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-39(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-22-14-12-10-8-6-4-2/h16-17,36-37,40-41H,3-15,18-35H2,1-2H3,(H,44,45)/b17-16-/t36-,37+/m0/s1
InChIKeyIFVBZNWVWZLXTQ-WQQOROIJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
pg(13:0/20:1(11z)) (CHEBI:230601) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
113376837ChemSpider
LMGP04010083LIPID MAPS