CHEBI:199761 - Sirodesmin K

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 Sirodesmin K
ChEBI ID CHEBI:199761
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N2O8S4
Net Charge 0
Average Mass 550.670
Monoisotopic Mass 550.05720
InChI InChI=1S/C20H26N2O8S4/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,15(27)22(11)19)32-34-33-31-19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19-,20-/m1/s1
InChIKey HRTWROLCNILHTD-OQIMMBKLSA-N
SMILES S1SS[C@]23N([C@@H]4C[C@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C2)O)OC(=O)C)C([C@@](S1)(N(C)C3=O)CO)=O
Metabolite of Species Details
Plenodomus lingam (NCBI:txid5022) See: DOI
ChEBI Ontology
Outgoing Sirodesmin K (CHEBI:199761) has functional parent α-amino acid (CHEBI:33704)
Sirodesmin K (CHEBI:199761) is a organonitrogen compound (CHEBI:35352)
Sirodesmin K (CHEBI:199761) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,3S,4S,5S,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate
Manual Xref Database
23330932 ChemSpider
View more database links