EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209645 - Sanctolide A

ChEBI IDCHEBI:209645
ChEBI NameSanctolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H41NO6
Net Charge0
Average Mass439.593
Monoisotopic Mass439.29339
SMILESCCCCC[C@@H](C[C@@H]1CCC(C)C(=O)N(C)/C=C/CC(=O)O[C@@H](C(C)C)C(=O)O1)OC
InChIInChI=1S/C24H41NO6/c1-7-8-9-11-19(29-6)16-20-14-13-18(4)23(27)25(5)15-10-12-21(26)31-22(17(2)3)24(28)30-20/h10,15,17-20,22H,7-9,11-14,16H2,1-6H3/b15-10+/t18?,19-,20-,22-/m0/s1
InChIKeyAOZCVYYAEZOYGW-IYSKLBKZSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria sancta SAG 74.79 (ncbitaxon:493170) - PubMed (22711943)
ChEBI Ontology
Outgoing Relation(s)
Sanctolide A (CHEBI:209645) is a lactam (CHEBI:24995)
Sanctolide A (CHEBI:209645) is a macrolide (CHEBI:25106)
IUPAC Name 
(3S,7E,14S)-14-[(2S)-2-methoxyheptyl]-9,11-dimethyl-3-propan-2-yl-1,4-dioxa-9-azacyclotetradec-7-ene-2,5,10-trione
Manual XrefsDatabases
78438479ChemSpider