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CHEBI:201901 - Penicibrocazine B

ChEBI IDCHEBI:201901
ChEBI NamePenicibrocazine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O5S
Net Charge0
Average Mass390.461
Monoisotopic Mass390.12494
SMILESCS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@H]1C[C@@H]3C(=O)CC[C@@H](O)[C@@H]3N1C2=O
InChIInChI=1S/C19H22N2O5S/c1-27-19-8-9-3-2-4-13(23)15(9)21(19)17(25)11-7-10-12(22)5-6-14(24)16(10)20(11)18(19)26/h2-4,10-11,13-16,23-24H,5-8H2,1H3/t10-,11+,13+,14-,15+,16-,19-/m1/s1
InChIKeyFKGFNDCDCVJKOJ-LOVZFBTJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25574740)
ChEBI Ontology
Outgoing Relation(s)
Penicibrocazine B (CHEBI:201901) has functional parent α-amino acid (CHEBI:33704)
Penicibrocazine B (CHEBI:201901) is a organonitrogen compound (CHEBI:35352)
Penicibrocazine B (CHEBI:201901) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4R,5R,9S,11S,14S,15S)-5,15-dihydroxy-1-methylsulanyl-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-16,18-diene-2,8,12-trione
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35516715ChemSpider