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CHEBI:187437 - DG(11D5/11M5/0:0)

ChEBI IDCHEBI:187437
ChEBI NameDG(11D5/11M5/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H78O7
Net Charge0
Average Mass743.123
Monoisotopic Mass742.57475
SMILESCCCCCc1cc(C)c(CCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)o1
InChIInChI=1S/C46H78O7/c1-6-8-22-28-40-34-37(3)42(51-40)29-24-18-14-10-13-17-21-27-33-46(49)52-41(35-47)36-50-45(48)32-26-20-16-12-11-15-19-25-31-44-39(5)38(4)43(53-44)30-23-9-7-2/h34,41,47H,6-33,35-36H2,1-5H3/t41-/m0/s1
InChIKeyGOFJHMUWQMXSLL-RWYGWLOXSA-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(11D5/11M5/0:0) (CHEBI:187437) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
[(2S)-1-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]-3-hydroxypropan-2-yl] 11-(3-methyl-5-pentyluran-2-yl)undecanoate
Manual XrefsDatabases
74878093ChemSpider
HMDB0116381HMDB