Pirlimycin Hydrochloride (CHEBI:201680)

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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	Pirlimycin Hydrochloride

ChEBI ID	CHEBI:201680

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C17H31ClN2O5S.ClH

Net Charge

Average Mass

447.410

Monoisotopic Mass

446.14090

InChI

InChI=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

InChIKey

DPVJWUUBZWFDPG-UHFFFAOYSA-N

SMILES

ClC(C(NC(=O)C1NCCC(C1)CC)C2OC(SC)C(O)C(C2O)O)C.Cl

ChEBI Ontology
Outgoing	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