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CHEBI:191049 - Hymeglusin

ChEBI IDCHEBI:191049
ChEBI NameHymeglusin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O5
Net Charge0
Average Mass324.417
Monoisotopic Mass324.19367
SMILESCC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCC[C@H]1OC(=O)[C@@H]1CO
InChIInChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1
InChIKeyODCZJZWSXPVLAW-KXCGKLMDSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hymeglusin (CHEBI:191049) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid
Manual XrefsDatabases
4945132ChemSpider
Registry NumbersSources
CAS:29066-42-0ChemIDplus