CHEBI:182620 - Deoxydesulfoglucohirsutin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Deoxydesulfoglucohirsutin
ChEBI ID CHEBI:182620
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H31NO6S2
Net Charge 0
Average Mass 397.550
Monoisotopic Mass 397.15928
InChI InChI=1S/C16H31NO6S2/c1-24-9-7-5-3-2-4-6-8-12(17-22)25-16-15(21)14(20)13(19)11(10-18)23-16/h11,13-16,18-22H,2-10H2,1H3/b17-12-/t11-,13-,14+,15-,16+/m1/s1
InChIKey JXHZTRXZIXRIDX-URUUWQEUSA-N
SMILES S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)/C(=N\O)/CCCCCCCCSC
ChEBI Ontology
Outgoing Deoxydesulfoglucohirsutin (CHEBI:182620) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-hydroxy-9-methylsulanylnonanimidothioate
Manual Xref Database
C21746 KEGG COMPOUND
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