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CHEBI:196699 - DG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)

ChEBI IDCHEBI:196699
ChEBI NameDG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O5
Net Charge0
Average Mass638.974
Monoisotopic Mass638.49103
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/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/h11-14,17-19,21-23,26-29,39,42H,3-10,15-16,20,24-25,30-38H2,1-2H3/b13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t39-/m0/s1
InChIKeyLRTUGDJPTAVCDU-SEQPGXMVSA-N
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(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0) (CHEBI:196699) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
HMDB0007510HMDB
24766204ChemSpider