CHEBI:104018 - (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide

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ChEBI Name (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide
ChEBI ID CHEBI:104018
Stars This entity has been manually annotated by a third party.
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Formula C18H34N2O6S
Net Charge 0
Average Mass 406.539
Monoisotopic Mass 406.21376
InChI InChI=1S/C18H34N2O6S/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)/t9-,10-,11+,12-,13+,14+,15-,16-,18-/m1/s1
InChIKey OJMMVQQUTAEWLP-HZUSHKNOSA-N
SMILES CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O
ChEBI Ontology
Outgoing (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide (CHEBI:104018) is a proline derivative (CHEBI:26273)
Manual Xref Database
LSM-15374 LINCS
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