EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186231 - DG(13D5/11M5/0:0)

ChEBI IDCHEBI:186231
ChEBI NameDG(13D5/11M5/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82O7
Net Charge0
Average Mass771.177
Monoisotopic Mass770.60605
SMILESCCCCCc1cc(C)c(CCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCc2oc(CCCCC)c(C)c2C)o1
InChIInChI=1S/C48H82O7/c1-6-8-24-30-42-36-39(3)44(53-42)31-26-20-16-14-15-19-23-29-35-48(51)54-43(37-49)38-52-47(50)34-28-22-18-13-11-10-12-17-21-27-33-46-41(5)40(4)45(55-46)32-25-9-7-2/h36,43,49H,6-35,37-38H2,1-5H3/t43-/m0/s1
InChIKeyIWVVZKHYICKZQX-QLKFWGTOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
DG(13D5/11M5/0:0) (CHEBI:186231) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
[(2S)-3-hydroxy-2-[11-(3-methyl-5-pentyluran-2-yl)undecanoyloxy]propyl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
74878120ChemSpider
HMDB0116408HMDB