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CHEBI:201680 - Pirlimycin Hydrochloride

ChEBI IDCHEBI:201680
ChEBI NamePirlimycin Hydrochloride
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SubmitterMetaboLights
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FormulaC17H31ClN2O5S.HCl
Net Charge0
Average Mass447.425
Monoisotopic Mass446.14090
SMILESCCC1CCNC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)C1.Cl
InChIInChI=1S/C17H31ClN2O5S.ClH/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H
InChIKeyDPVJWUUBZWFDPG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pirlimycin Hydrochloride (CHEBI:201680) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name 
(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide;hydrochloride
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