CHEBI:209854 - 5'-hydroxy-6'-ene-epicoccin G

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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 5'-hydroxy-6'-ene-epicoccin G
ChEBI ID CHEBI:209854
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N2O6S2
Net Charge 0
Average Mass 454.560
Monoisotopic Mass 454.12323
InChI InChI=1S/C20H26N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-11,13-16,23,25-26H,4,6-8H2,1-2H3/t9-,10+,11+,13+,14+,15+,16+,19-,20-/m1/s1
InChIKey QOHCECCKIAVOOH-WJQJLFQASA-N
SMILES S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@H](N3C1=O)[C@@H](O)C=C[C@@H]4O)[C@@H]5[C@@H](O)CCC([C@@H]5C2)=O)C
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing 5'-hydroxy-6'-ene-epicoccin G (CHEBI:209854) has functional parent α-amino acid (CHEBI:33704)
5'-hydroxy-6'-ene-epicoccin G (CHEBI:209854) is a organonitrogen compound (CHEBI:35352)
5'-hydroxy-6'-ene-epicoccin G (CHEBI:209854) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5S,9R,11R,14S,15S,18S,19S)-5,15,18-trihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icos-16-ene-2,8,12-trione
Manual Xref Database
81424678 ChemSpider
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