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CHEBI:222200 - Paulomycin C

ChEBI IDCHEBI:222200
ChEBI NamePaulomycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42N2O17S
Net Charge0
Average Mass758.752
Monoisotopic Mass758.22042
SMILESC/C=C(/N=C=S)C(=O)O[C@@H]1[C@@H](O[C@@H]2C[C@H](OC)[C@@](O)([C@H](C)OC(=O)CC)[C@@H](C)O2)[C@@H](O)[C@H]([C@]2(O)CC(=O)C(=N)C(C(=O)O)=C2O)O[C@@H]1COC(C)=O
InChIInChI=1S/C32H42N2O17S/c1-7-16(34-12-52)30(42)51-25-18(11-46-15(5)35)49-28(31(43)10-17(36)23(33)22(27(31)39)29(40)41)24(38)26(25)50-21-9-19(45-6)32(44,14(4)48-21)13(3)47-20(37)8-2/h7,13-14,18-19,21,24-26,28,33,38-39,43-44H,8-11H2,1-6H3,(H,40,41)/b16-7+,33-23?/t13-,14+,18+,19-,21+,24+,25-,26-,28+,31-,32+/m0/s1
InChIKeyURXHZXRXRUZHKO-OKSNKMHPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3356604)
ChEBI Ontology
Outgoing Relation(s)
Paulomycin C (CHEBI:222200) has functional parent tetracarboxylic acid (CHEBI:35742)
Paulomycin C (CHEBI:222200) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-3-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-propanoyloxyethyl]oxan-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Manual XrefsDatabases
78442988ChemSpider