EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:184716
ChEBI Name(2S)-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-hydroxypropyl 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82O7
Net Charge0
Average Mass771.177
Monoisotopic Mass770.60605
SMILESCCCCCc1cc(C)c(CCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCc2oc(CCCCC)c(C)c2C)o1
InChIInChI=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
InChIKeyNDLNCNMCEHUDFD-QLKFWGTOSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 XrefsDatabases
HMDB0116415HMDB
74878127ChemSpider