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CHEBI:213144 - Penicibrocazine A

ChEBI IDCHEBI:213144
ChEBI NamePenicibrocazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O6S
Net Charge0
Average Mass408.476
Monoisotopic Mass408.13551
SMILESCS[C@@]12C[C@H]3C(=O)CC[C@H](O)[C@H]3N1C(=O)[C@@H]1C[C@@H]3C(=O)CC[C@H](O)[C@H]3N1C2=O
InChIInChI=1S/C19H24N2O6S/c1-28-19-7-9-12(23)3-5-14(25)16(9)21(19)17(26)10-6-8-11(22)2-4-13(24)15(8)20(10)18(19)27/h8-10,13-16,24-25H,2-7H2,1H3/t8-,9+,10+,13+,14+,15+,16+,19-/m1/s1
InChIKeyFVIIUOKQRWILTI-YHDCQKTBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25574740)
ChEBI Ontology
Outgoing Relation(s)
Penicibrocazine A (CHEBI:213144) has functional parent α-amino acid (CHEBI:33704)
Penicibrocazine A (CHEBI:213144) is a organonitrogen compound (CHEBI:35352)
Penicibrocazine A (CHEBI:213144) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5S,9S,11S,14S,15S,19R)-5,15-dihydroxy-1-methylsulanyl-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosane-2,8,12,18-tetrone
Manual XrefsDatabases
35516714ChemSpider