EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224201 - Thiocladospolide A

ChEBI IDCHEBI:224201
ChEBI NameThiocladospolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O6S
Net Charge0
Average Mass346.445
Monoisotopic Mass346.14501
SMILESCOC(=O)[C@H](O)CS[C@H]1CC(=O)CCCCCC[C@@H](C)OC1=O
InChIInChI=1S/C16H26O6S/c1-11-7-5-3-4-6-8-12(17)9-14(16(20)22-11)23-10-13(18)15(19)21-2/h11,13-14,18H,3-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyHFADDBYELHNUNP-BNOWGMLFSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (31038952)
ChEBI Ontology
Outgoing Relation(s)
Thiocladospolide A (CHEBI:224201) is a macrolide (CHEBI:25106)
IUPAC Name 
methyl (2S)-2-hydroxy-3-[[(3S,12R)-12-methyl-2,5-dioxo-oxacyclododec-3-yl]sulanyl]propanoate
Manual XrefsDatabases
76712510ChemSpider