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CHEBI:206434 - Penicisulfuranol C

ChEBI IDCHEBI:206434
ChEBI NamePenicisulfuranol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O9S3
Net Charge0
Average Mass542.613
Monoisotopic Mass542.04874
SMILESCOc1ccc2c(c1OC)O[C@]13C(=O)N4O[C@H]5[C@H](O)C=C[C@@H](O)[C@@]5(O)C[C@@]4(SSS[C@H]21)C(=O)N3C
InChIInChI=1S/C21H22N2O9S3/c1-22-17(26)20-8-19(28)12(25)7-5-10(24)15(19)32-23(20)18(27)21(22)16(33-35-34-20)9-4-6-11(29-2)14(30-3)13(9)31-21/h4-7,10,12,15-16,24-25,28H,8H2,1-3H3/t10-,12-,15+,16-,19+,20-,21+/m1/s1
InChIKeyBFNWYMWIIVLSJC-OFDQUPMBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27992183)
ChEBI Ontology
Outgoing Relation(s)
Penicisulfuranol C (CHEBI:206434) has functional parent α-amino acid (CHEBI:33704)
Penicisulfuranol C (CHEBI:206434) is a organonitrogen compound (CHEBI:35352)
Penicisulfuranol C (CHEBI:206434) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,9R,13R,15S,16R,19R,20S)-15,16,19-trihydroxy-4,5-dimethoxy-24-methyl-2,21-dioxa-10,11,12-trithia-22,24-diazahexacyclo[11.10.2.01,9.03,8.013,22.015,20]pentacosa-3(8),4,6,17-tetraene-23,25-dione
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