EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169054 - DG(18:2n6/0:0/22:6n3)

ChEBI IDCHEBI:169054
ChEBI NameDG(18:2n6/0:0/22:6n3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H70O5
Net Charge0
Average Mass679.039
Monoisotopic Mass678.52233
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCCC
InChIInChI=1S/C44H70O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-41-42(45)40-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-24,27,29,33,35,42,45H,3-4,6,8-10,12,15,18,21,25-26,28,30-32,34,36-41H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,23-22-,24-20-,29-27-,35-33-/t42-/m1/s1
InChIKeyBKELRIIWRHOQFB-MJQQQCHASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
DG(18:2n6/0:0/22:6n3) (CHEBI:169054) is a 1,3-diglyceride (CHEBI:47777)
IUPAC Name 
[(2R)-2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
74854642ChemSpider
HMDB0056295HMDB