CHEBI:184716 - (2S)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-hydroxypropyl 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate

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ChEBI Name (2S)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-hydroxypropyl 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
ChEBI ID CHEBI:184716
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)31-26-20-16-12-10-11-13-18-22-28-34-47(50)52-38-43(37-49)54-48(51)35-29-23-19-15-14-17-21-27-33-46-41(5)40(4)45(55-46)32-25-9-7-2/h36,43,49H,6-35,37-38H2,1-5H3/t43-/m0/s1
InChIKey NDLNCNMCEHUDFD-QLKFWGTOSA-N
SMILES O1C(CCCCCCCCCCC(O[C@H](COC(=O)CCCCCCCCCCCCC=2OC(CCCCC)=CC2C)CO)=O)=C(C(=C1CCCCC)C)C
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] 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 (2S)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-hydroxypropyl 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate (CHEBI:184716) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
[(2S)-2-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]-3-hydroxypropyl] 13-(3-methyl-5-pentyluran-2-yl)tridecanoate
Manual Xrefs Databases
74878127 ChemSpider
HMDB0116415 HMDB
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