CHEBI:182465 - Lincomycin hydrochloride

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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 Lincomycin hydrochloride
ChEBI ID CHEBI:182465
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H34N2O6S.ClH
Net Charge 0
Average Mass 443.000
Monoisotopic Mass 442.19044
InChI InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9-,10-,11+,12-,13+,14+,15-,16+,18-;/m1./s1
InChIKey POUMFISTNHIPTI-BOTOIELMSA-N
SMILES Cl.S([C@H]1O[C@@]([C@H](NC(=O)[C@H]2N(C[C@@H](C2)CCC)C)[C@H](O)C)([C@@H](O)[C@H](O)[C@H]1O)[H])C
ChEBI Ontology
Outgoing Lincomycin hydrochloride (CHEBI:182465) is a proline derivative (CHEBI:26273)
IUPAC Name
(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride
Manual Xref Database
58258 ChemSpider
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Registry Number Type Source
859-18-7 CAS Registry Number ChemIDplus