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CHEBI:222195 - Paulomycin D

ChEBI IDCHEBI:222195
ChEBI NamePaulomycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H40N2O17S
Net Charge0
Average Mass744.725
Monoisotopic Mass744.20477
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(C)=O)[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/C31H40N2O17S/c1-7-16(33-11-51)29(41)50-24-18(10-45-14(4)34)48-27(30(42)9-17(36)22(32)21(26(30)38)28(39)40)23(37)25(24)49-20-8-19(44-6)31(43,13(3)47-20)12(2)46-15(5)35/h7,12-13,18-20,23-25,27,32,37-38,42-43H,8-10H2,1-6H3,(H,39,40)/b16-7+,32-22?/t12-,13-,18+,19-,20-,23+,24+,25-,27+,30+,31+/m0/s1
InChIKeyVYCJZTYLSDXQFX-POLHNZIWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3356604)
ChEBI Ontology
Outgoing Relation(s)
Paulomycin D (CHEBI:222195) has functional parent tetracarboxylic acid (CHEBI:35742)
Paulomycin D (CHEBI:222195) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S)-3-[(2R,3R,4S,5R,6R)-4-[(2R,4S,5S,6S)-5-[(1S)-1-acetyloxyethyl]-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Manual XrefsDatabases
78442987ChemSpider