CHEBI:101255 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide

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ChEBI Name 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
ChEBI ID CHEBI:101255
Stars This entity has been manually annotated by a third party.
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Formula C19H27N3O5
Net Charge 0
Average Mass 377.436
Monoisotopic Mass 377.19507
InChI InChI=1S/C19H27N3O5/c1-21(2)18(24)9-15-3-4-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-5-7-20-8-6-13/h5-8,14-17,23H,3-4,9-12H2,1-2H3/t14-,15+,16-,17+/m1/s1
InChIKey JDHZCDHPHAWVKT-TWMKSMIVSA-N
SMILES CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3=CC=NC=C3)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide (CHEBI:101255) is a aromatic carboxylic acid (CHEBI:33859)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide (CHEBI:101255) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual Xref Database
LSM-12623 LINCS
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