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CHEBI:185406 - DG(22:1(13Z)/22:2(13Z,16Z)/0:0)[iso2]

ChEBI IDCHEBI:185406
ChEBI NameDG(22:1(13Z)/22:2(13Z,16Z)/0:0)[iso2]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H86O5
Net Charge0
Average Mass731.200
Monoisotopic Mass730.64753
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C47H86O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,45,48H,3-11,13,15-16,21-44H2,1-2H3/b14-12-,19-17-,20-18-/t45-/m0/s1
InChIKeyFYQVTZZMQMJNHB-DDYXGRGRSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
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(22:1(13Z)/22:2(13Z,16Z)/0:0)[iso2] (CHEBI:185406) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-hydroxypropyl] (Z)-docos-13-enoate
Manual XrefsDatabases
HMDB0007639HMDB
7822898ChemSpider
LMGL02010283LIPID MAPS