EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230347 - DG(18:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0)

Default Structure
ChEBI IDCHEBI:230347
ChEBI NameDG(18:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H72O6
Net Charge0
Average Mass685.043
Monoisotopic Mass684.53289
SMILESCC/C=C\CC(O)/C=C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H72O6/c1-3-5-7-8-9-10-11-12-13-16-19-22-25-28-32-36-42(46)48-39-41(38-44)49-43(47)37-33-29-26-23-20-17-14-15-18-21-24-27-31-35-40(45)34-30-6-4-2/h6,15,17-18,20,24,26-27,29-31,35,40-41,44-45H,3-5,7-14,16,19,21-23,25,28,32-34,36-39H2,1-2H3/b18-15-,20-17-,27-24+,29-26-,30-6-,35-31+/t40?,41-/m0/s1
InChIKeyZNVXGIORRITFKK-ZBKZUDMLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
DG(18:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0) (CHEBI:230347) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13E,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoate
Manual XrefsDatabases
117215182ChemSpider
HMDB0295979HMDB