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

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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(13D5/11M5/0:0)
ChEBI ID CHEBI:186231
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H82O7
Net Charge 0
Average Mass 771.177
Monoisotopic Mass 770.60605
InChI InChI=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
InChIKey IWVVZKHYICKZQX-QLKFWGTOSA-N
SMILES O1C(CCCCCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCC=2OC(CCCCC)=CC2C)CO)=O)=C(C(=C1CCCCC)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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(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 Xrefs Databases
74878120 ChemSpider
HMDB0116408 HMDB
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