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CHEBI:180873 - DG(9D3/9D3/0:0)

ChEBI IDCHEBI:180873
ChEBI NameDG(9D3/9D3/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O7
Net Charge0
Average Mass644.934
Monoisotopic Mass644.46520
SMILESCCCc1oc(CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCc2oc(CCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C39H64O7/c1-7-21-34-29(3)31(5)36(45-34)23-17-13-9-11-15-19-25-38(41)43-28-33(27-40)44-39(42)26-20-16-12-10-14-18-24-37-32(6)30(4)35(46-37)22-8-2/h33,40H,7-28H2,1-6H3/t33-/m0/s1
InChIKeyUPQVMLHMFBLTRA-XIFFEERXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
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(9D3/9D3/0:0) (CHEBI:180873) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
[(2S)-2-[9-(3,4-dimethyl-5-propyluran-2-yl)nonanoyloxy]-3-hydroxypropyl] 9-(3,4-dimethyl-5-propyluran-2-yl)nonanoate
Manual XrefsDatabases
HMDB0116428HMDB
74878140ChemSpider