CHEBI:205067 - Sumalarin A

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 Sumalarin A
ChEBI ID CHEBI:205067
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O8S
Net Charge 0
Average Mass 426.480
Monoisotopic Mass 426.13484
InChI InChI=1S/C20H26O8S/c1-11-4-3-5-14(29-10-17(24)20(26)27-2)9-16(23)19-12(7-18(25)28-11)6-13(21)8-15(19)22/h6,8,11,14,17,21-22,24H,3-5,7,9-10H2,1-2H3/t11-,14-,17+/m0/s1
InChIKey YXJPFYMQMMDSJU-PZSREKOKSA-N
SMILES S([C@@H]1CC(=O)C2=C(O)C=C(O)C=C2CC(=O)O[C@H](CCC1)C)C[C@@H](O)C(=O)OC
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Sumalarin A (CHEBI:205067) is a macrolide (CHEBI:25106)
IUPAC Name
methyl (2S)-3-[[(5S,9S)-13,15-dihydroxy-5-methyl-3,11-dioxo-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-9-yl]sulanyl]-2-hydroxypropanoate
Manual Xref Database
30771276 ChemSpider
View more database links