EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191341 - DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)

ChEBI IDCHEBI:191341
ChEBI NameDG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H82O5
Net Charge0
Average Mass727.168
Monoisotopic Mass726.61623
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,27,29,33,35,45,48H,3-11,13,15-16,21-26,28,30-32,34,36-44H2,1-2H3/b14-12-,19-17-,20-18-,29-27-,35-33-/t45-/m0/s1
InChIKeyYFAFVULQEQGYAK-OXGRNNGBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
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(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0) (CHEBI:191341) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-1-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
24766215ChemSpider
HMDB0007529HMDB