EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223611 - Leuseramycin

Default Structure
ChEBI IDCHEBI:223611
ChEBI NameLeuseramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H78O13
Net Charge0
Average Mass851.128
Monoisotopic Mass850.54424
SMILESCOC1CCC(OC2CC(C3(C)CCC4(CC(O)C(C)C(C(C)/C=C(\C)C(=O)C(C)CC(C)C(=O)O)O4)O3)OC3(OC(C4OC(C)(O)C(C)CC4C)CC3C)C2C)OC1C
InChIInChI=1S/C47H78O13/c1-24(40(49)25(2)19-28(5)43(50)51)18-26(3)41-31(8)34(48)23-46(59-41)17-16-44(11,60-46)38-22-36(55-39-15-14-35(53-13)33(10)54-39)32(9)47(57-38)30(7)21-37(56-47)42-27(4)20-29(6)45(12,52)58-42/h18,25-39,41-42,48,52H,14-17,19-23H2,1-13H3,(H,50,51)/b24-18+
InChIKeyALQNAINCHNBUOD-HKOYGPOVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7380724)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Leuseramycin (CHEBI:223611) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(E)-8-[7-hydroxy-2-[2-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-9-(5-methoxy-6-methyloxan-2-yl)oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
Manual XrefsDatabases
4946163ChemSpider