CHEBI:225471 - Thiocarboxylic D1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Thiocarboxylic D1
ChEBI ID CHEBI:225471
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O5S
Net Charge 0
Average Mass 350.430
Monoisotopic Mass 350.11879
InChI InChI=1S/C18H22O5S/c1-11(19)7-5-6-9-18(3)16(20)14(17(21)22-4)15(23-18)13-8-10-24-12(13)2/h6,8-11,19H,5,7H2,1-4H3/b9-6+/t11-,18-/m1/s1
InChIKey CBMLDOLIBXILGB-MHOMLUJESA-N
SMILES S1C(=C(C=2O[C@@](/C=C/CC[C@H](O)C)(C)C(C2C(=O)OC)=O)C=C1)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Thiocarboxylic D1 (CHEBI:225471) is a oxolanes (CHEBI:26912)
IUPAC Name
methyl (5R)-5-[(E,5R)-5-hydroxyhex-1-enyl]-5-methyl-2-(2-methylthiophen-3-yl)-4-oxouran-3-carboxylate