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CHEBI:45857 - (E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE

Default Structure
ChEBI IDCHEBI:45857
ChEBI Name(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H32N2O7
Net Charge0
Average Mass388.461
Monoisotopic Mass388.22095
SMILES[H]O[C@@]1([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])/C([H])=C(\[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C18H32N2O7/c1-18(2,3)8-7-12(22)13(23)14(24)15(27-4)17(26)20-11-6-5-10(21)9-19-16(11)25/h7-8,10-15,21-24H,5-6,9H2,1-4H3,(H,19,25)(H,20,26)/b8-7+/t10-,11+,12-,13+,14-,15-/m1/s1
InChIKeyFVBBTOIQETYGOA-SDNORSGYSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE (CHEBI:45857) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxoazepan-3-yl]-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name)PDBeChem
(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDEPDBeChem
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