EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206423 - Penicisulfuranol A

ChEBI IDCHEBI:206423
ChEBI NamePenicisulfuranol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClN2O8S2
Net Charge0
Average Mass528.992
Monoisotopic Mass528.04279
SMILESCOc1ccc2c(c1OC)O[C@]13C(=O)N4O[C@H]5[C@H](O)C=C[C@@H](Cl)[C@@]5(O)C[C@@]4(SS[C@H]21)C(=O)N3C
InChIInChI=1S/C21H21ClN2O8S2/c1-23-17(26)20-8-19(28)12(22)7-5-10(25)15(19)32-24(20)18(27)21(23)16(33-34-20)9-4-6-11(29-2)14(30-3)13(9)31-21/h4-7,10,12,15-16,25,28H,8H2,1-3H3/t10-,12-,15+,16-,19+,20-,21+/m1/s1
InChIKeyHFWZFFCNOVVKQT-OFDQUPMBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27992183)
ChEBI Ontology
Outgoing Relation(s)
Penicisulfuranol A (CHEBI:206423) has functional parent α-amino acid (CHEBI:33704)
Penicisulfuranol A (CHEBI:206423) is a organonitrogen compound (CHEBI:35352)
Penicisulfuranol A (CHEBI:206423) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,5S,6R,9R,10R,12R,15R)-9-chloro-6,10-dihydroxy-19,20-dimethoxy-23-methyl-4,22-dioxa-13,14-dithia-3,23-diazahexacyclo[10.10.2.01,15.03,12.05,10.016,21]tetracosa-7,16(21),17,19-tetraene-2,24-dione
Manual XrefsDatabases
58826995ChemSpider