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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name DG(9D3/9D3/0:0)
ChEBI ID CHEBI:180873
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H64O7
Net Charge 0
Average Mass 644.934
Monoisotopic Mass 644.46520
InChI InChI=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
InChIKey UPQVMLHMFBLTRA-XIFFEERXSA-N
SMILES O1C(CCCCCCCCC(O[C@H](COC(=O)CCCCCCCCC=2OC(=C(C2C)C)CCC)CO)=O)=C(C(=C1CCC)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
74878140 ChemSpider
HMDB0116428 HMDB
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