EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170325 - DG(i-18:0/i-14:0/0:0)

ChEBI IDCHEBI:170325
ChEBI NameDG(i-18:0/i-14:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H68O5
Net Charge0
Average Mass568.924
Monoisotopic Mass568.50668
SMILESCC(C)CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC(C)C
InChIInChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-7-5-6-8-10-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-11-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1
InChIKeyNCAHBKIODXTBJL-XIFFEERXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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(i-18:0/i-14:0/0:0) (CHEBI:170325) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-3-hydroxy-2-(12-methyltridecanoyloxy)propyl] 16-methylheptadecanoate
Manual XrefsDatabases
HMDB0093917HMDB
74858444ChemSpider