6alpha-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylate (Q27104785)

CHEBI:51797 (English)

6alpha-[(R)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylate

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

6beta-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₄NO₅S⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-])O

1 reference

CHEBI:51797 (English)

19 October 2016

isomeric SMILES

C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O

1 reference

CHEBI:51797 (English)

InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/p-1/t5-,6+,7-,11+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEBI:51797 (English)

HGGAKXAHAYOLDJ-QMWPFBOUSA-M

19 October 2016

InChIKey

2 references

CHEBI:51797 (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5R,6S)-6-[(1S)-1-Hydroxyethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (English)

19 October 2016

2 references

CHEBI:51797 (English)

matched by identifier from

19 October 2016

InChIKey

HGGAKXAHAYOLDJ-QMWPFBOUSA-M

ChEBI ID

51797

mapping relation type

2 references

6alpha-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylate (English)