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CHEBI:197617 - Penicibrocazine C

ChEBI IDCHEBI:197617
ChEBI NamePenicibrocazine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N2O6S2
Net Charge0
Average Mass454.570
Monoisotopic Mass454.12323
SMILESCS[C@@]12C[C@H]3[C@@H]([C@@H](O)C=C[C@@H]3O)N1C(=O)[C@]1(SC)C[C@H]3[C@@H]([C@@H](O)C=C[C@@H]3O)N1C2=O
InChIInChI=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/h3-6,9-16,23-26H,7-8H2,1-2H3/t9-,10-,11+,12+,13+,14+,15+,16+,19-,20-/m1/s1
InChIKeyCVUVUDMOCUORTF-OTLVIJGASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25574740)
ChEBI Ontology
Outgoing Relation(s)
Penicibrocazine C (CHEBI:197617) has functional parent α-amino acid (CHEBI:33704)
Penicibrocazine C (CHEBI:197617) is a organonitrogen compound (CHEBI:35352)
Penicibrocazine C (CHEBI:197617) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,8S,9S,11R,14S,15S,18S,19S)-5,8,15,18-tetrahydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,16-diene-2,12-dione
Manual XrefsDatabases
35516716ChemSpider