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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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(11D5/11M5/0:0)
ChEBI ID CHEBI:187437
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H78O7
Net Charge 0
Average Mass 743.123
Monoisotopic Mass 742.57475
InChI InChI=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
InChIKey GOFJHMUWQMXSLL-RWYGWLOXSA-N
SMILES O1C(CCCCCCCCCCC(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(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 Xrefs Databases
74878093 ChemSpider
HMDB0116381 HMDB
View more database links