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CHEBI:212883 - Paulomycin G

ChEBI IDCHEBI:212883
ChEBI NamePaulomycin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O11S
Net Charge0
Average Mass498.466
Monoisotopic Mass498.09443
SMILESC/C=C(\N=C=S)C(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H]([C@@]2(O)CC(=O)C(=N)C(C(=O)O)=C2O)O[C@@H]1C
InChIInChI=1S/C20H22N2O11S/c1-4-9(22-6-34)19(29)33-14-7(2)31-17(13(25)15(14)32-8(3)23)20(30)5-10(24)12(21)11(16(20)26)18(27)28/h4,7,13-15,17,21,25-26,30H,5H2,1-3H3,(H,27,28)/b9-4-,21-12?/t7-,13-,14-,15+,17-,20-/m1/s1
InChIKeyWNALUYRAGNJCGO-KRHVDNSKSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (28846627)
ChEBI Ontology
Outgoing Relation(s)
Paulomycin G (CHEBI:212883) has functional parent α-amino acid (CHEBI:33704)
Paulomycin G (CHEBI:212883) is a organonitrogen compound (CHEBI:35352)
Paulomycin G (CHEBI:212883) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S)-3-[(2R,3R,4S,5R,6R)-4-acetyloxy-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-6-methyloxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Manual XrefsDatabases
78439239ChemSpider