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CHEBI:180852 - DG(11D3/13D5/0:0)

ChEBI IDCHEBI:180852
ChEBI NameDG(11D3/13D5/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H80O7
Net Charge0
Average Mass757.150
Monoisotopic Mass756.59040
SMILESCCCCCc1oc(CCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCc2oc(CCC)c(C)c2C)c(C)c1C
InChIInChI=1S/C47H80O7/c1-7-9-24-30-43-39(5)40(6)45(54-43)32-26-20-16-12-10-11-13-19-23-28-34-47(50)52-41(35-48)36-51-46(49)33-27-22-18-15-14-17-21-25-31-44-38(4)37(3)42(53-44)29-8-2/h41,48H,7-36H2,1-6H3/t41-/m0/s1
InChIKeyYDLVKXFDBPVVCB-RWYGWLOXSA-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(11D3/13D5/0:0) (CHEBI:180852) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
[(2S)-1-[11-(3,4-dimethyl-5-propyluran-2-yl)undecanoyloxy]-3-hydroxypropan-2-yl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
HMDB0116373HMDB
74878085ChemSpider