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CHEBI:189956 - DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0)

ChEBI IDCHEBI:189956
ChEBI NameDG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O5
Net Charge0
Average Mass638.974
Monoisotopic Mass638.49103
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H66O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,27,29,39,42H,3-4,6,8-10,15-16,20,24-26,28,30-38H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t39-/m0/s1
InChIKeyOREPPYIZSZCDHX-JOWNYHGMSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0) (CHEBI:189956) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
HMDB0007567HMDB
24766253ChemSpider